Geometry & MOs

Info

ID:	364772
PubChem CID:	127316103
Reduced:	O3N7C17H19 (1)
Stoich.:	A3B7C17D19 (1)
Weight, g/mol:	382.236876
ΔH_f, kcal/mol:	-57.57
Dipole, Da:	3.28
IP(EA), eV:	-9.28(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-[1-(3-methoxy-4-methylphenyl)cyclopentyl]methanone

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=N2)C(=O)N3CCN(CC3)CC4=NC=CN4)C(=O)NC1=O

DOS

IR

Vibrations