Geometry & MOs

Info

ID:

417630

PubChem CID:

135102333

Reduced:

O4N9C34H41 (1)

Stoich.:

A4B9C34D41 (1)

Weight, g/mol:

354.205576

ΔHf, kcal/mol:

-61.18

Dipole, Da:

9.14

IP(EA), eV:

 -8.81(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](NC(=O)C1)CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=C(C=C5)N6C=NN=N6)C(C)C

DOS

IR

Vibrations