Geometry & MOs

Info

ID:	364755
PubChem CID:	127316086
Reduced:	O3N4C16H18 (1)
Stoich.:	A3B4C16D18 (1)
Weight, g/mol:	354.205576
ΔH_f, kcal/mol:	-44.65
Dipole, Da:	5.42
IP(EA), eV:	-9.04(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=NC=CN2)C(=O)C3=C4C(=CC=C3)OCO4

DOS

IR

Vibrations