Geometry & MOs

Info

ID:	139083
PubChem CID:	52469680
Reduced:	O2N5C25H37 (1)
Stoich.:	A2B5C25D37 (1)
Weight, g/mol:	406.144806
ΔH_f, kcal/mol:	-67.48
Dipole, Da:	9.46
IP(EA), eV:	-8.29(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R,13bS)-6-(3-chlorophenyl)-11,12-dimethoxy-6,8,9,13b-tetrahydro-5H-isoquinolino[2,1-c]quinazoline

Drug info:

PubChemData

Smile

C[C@H]1CCCN(C1)C2=NC(=O)C3=C(N2)CN(CC3)CC4=C(N(C(=C4)C)C[C@@H]5CCCO5)C

DOS

IR

Vibrations