Geometry & MOs

Info

ID:	442995
PubChem CID:	135257338
Reduced:	BrON4C15H19 (1)
Stoich.:	ABC4D15E19 (1)
Weight, g/mol:	567.336196
ΔH_f, kcal/mol:	1.71
Dipole, Da:	5.46
IP(EA), eV:	-8.9(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[4-(1-methyl-3,4,4a,7,8,8a-hexahydro-2H-1,8-naphthyridin-4-yl)phenyl]-N,N-diphenyl-1,2,3,4,4a,9a-hexahydropyrido[2,3-b]indol-6-amine

Drug info:

PubChemData

Smile

C[C@H]1CC2(CCN(CC2)C3=NC=C(C4=C3NC=N4)Br)CO1

DOS

IR

Vibrations