Geometry & MOs

Info

ID:	364825
PubChem CID:	127316233
Reduced:	O3N5C17H19 (1)
Stoich.:	A3B5C17D19 (1)
Weight, g/mol:	363.20591
ΔH_f, kcal/mol:	-57.01
Dipole, Da:	2.83
IP(EA), eV:	-9.18(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=NC=CN2)C(=O)C3=CC4=C(C=C3)OCC(=O)N4

DOS

IR

Vibrations