Geometry & MOs

Info

ID:	363588
PubChem CID:	127311667
Reduced:	O2N6C11H16 (1)
Stoich.:	A2B6C11D16 (1)
Weight, g/mol:	367.08954
ΔH_f, kcal/mol:	9.48
Dipole, Da:	6.85
IP(EA), eV:	-9.22(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(3-bromo-4-methoxyphenyl)urea

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)NC(=O)NC(C)CN2C=NC=N2

DOS

IR

Vibrations