Geometry & MOs

Info

ID:

415096

PubChem CID:

135088082

Reduced:

O7N9C43H57 (1)

Stoich.:

A7B9C43D57 (1)

Weight, g/mol:

314.174276

ΔHf, kcal/mol:

-245.07

Dipole, Da:

5.5

IP(EA), eV:

 -8.74(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-propan-2-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C=CC(=N1)C(=O)N2C[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C2)CC3=CNC4=CC=CC=C43)CC(C)C)CC5=CC=C(C=C5)OC)C)C(C)C

DOS

IR

Vibrations