Geometry & MOs

Info

ID:	414420
PubChem CID:	135087378
Reduced:	SN2O2C22H24 (1)
Stoich.:	AB2C2D22E24 (1)
Weight, g/mol:	314.174276
ΔH_f, kcal/mol:	-36.4
Dipole, Da:	4.14
IP(EA), eV:	-8.47(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-propyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)C(=O)N2CCC3(CC2)C4=C(CCO3)C5=CC=CC=C5N4

DOS

IR

Vibrations