Geometry & MOs

Info

ID:	141944
PubChem CID:	52955787
Reduced:	SO3N5C28H29 (1)
Stoich.:	AB3C5D28E29 (1)
Weight, g/mol:	369.16079
ΔH_f, kcal/mol:	-12.91
Dipole, Da:	4.36
IP(EA), eV:	-8.6(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorophenyl)-N-(2-methoxyphenyl)-1,4,4a,5,6,7,8,8a-octahydroquinazolin-2-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2C3=CC=CC=C3C(=NC4=CC=C(C=C4)NC(=O)C)N=N2)S(=O)(=O)N5CCCCC5

DOS

IR

Vibrations