Geometry & MOs

Info

ID:	364807
PubChem CID:	127316148
Reduced:	O2N5C21H27 (1)
Stoich.:	A2B5C21D27 (1)
Weight, g/mol:	378.101417
ΔH_f, kcal/mol:	-35.53
Dipole, Da:	6.4
IP(EA), eV:	-8.93(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,3-dichlorophenyl)cyclopropyl]-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC=CC=C2)C(=O)N3CCN(CC3)CC4=NC=CN4

DOS

IR

Vibrations