Geometry & MOs

Info

ID:	359735
PubChem CID:	127299682
Reduced:	O2N3C24H31 (1)
Stoich.:	A2B3C24D31 (1)
Weight, g/mol:	354.10552
ΔH_f, kcal/mol:	-78.86
Dipole, Da:	7.09
IP(EA), eV:	-8.29(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)CC2=CC=CC=C2CNC(=O)C3=CC4=C(CCCC4)NC3=O

DOS

IR

Vibrations