Geometry & MOs

Info

ID:	83815
PubChem CID:	49861549
Reduced:	NO2C21H33 (1)
Stoich.:	AB2C21D33 (1)
Weight, g/mol:	403.18344
ΔH_f, kcal/mol:	-116.64
Dipole, Da:	5.21
IP(EA), eV:	-8.74(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromocyclohexyl)-6,7-diethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinazolin-4-amine

Drug info:

PubChemData

Smile

C1CC(C1)CN2CCC34CC(=O)CCC3C2CC5C4CC(CC5)O

DOS

IR

Vibrations