Geometry & MOs

Info

ID:	323132
PubChem CID:	126672810
Reduced:	OSN3H11C16 (1)
Stoich.:	ABC3D11E16 (1)
Weight, g/mol:	473.257946
ΔH_f, kcal/mol:	79.91
Dipole, Da:	2.87
IP(EA), eV:	-8.98(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylpyrrolo[3,2-c]pyridin-6-amine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)O)C2=CN=C3N2C=C(N=C3)C4=CSC=C4

DOS

IR

Vibrations