Geometry & MOs

Info

ID:	320631
PubChem CID:	126662192
Reduced:	O3N4C30H42 (1)
Stoich.:	A3B4C30D42 (1)
Weight, g/mol:	363.169525
ΔH_f, kcal/mol:	-97.07
Dipole, Da:	6.38
IP(EA), eV:	-8.79(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-3-(4-phenoxyphenyl)-1-[(3R)-pyrrolidin-3-yl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CN=C(N=C1)N2CCC(CC2)COC3=CC=C(C=C3)C4=CCC(CC4)C(=O)NCCCOCC

DOS

IR

Vibrations