Geometry & MOs

Info

ID:

420123

PubChem CID:

135111297

Reduced:

N7O7C39H53 (1)

Stoich.:

A7B7C39D53 (1)

Weight, g/mol:

328.153541

ΔHf, kcal/mol:

-169.75

Dipole, Da:

4.5

IP(EA), eV:

 -8.68(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC=CN1CCC(=O)N[C@H]2CCCNC(=O)COC3=C(C=CC(=C3)CCCNC(=O)[C@H](NC(=O)[C@@H](NC2=O)CC4=CC=CC=C4)C(C)C)OC

DOS

IR

Vibrations