Geometry & MOs

Info

ID:	84791
PubChem CID:	49869905
Reduced:	ON4C31H58 (1)
Stoich.:	AB4C31D58 (1)
Weight, g/mol:	515.185481
ΔH_f, kcal/mol:	-41.56
Dipole, Da:	3.59
IP(EA), eV:	-8.76(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-2-ethyl-5-methyl-1-phenylimidazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)NCCN(CCN)CCN

DOS

IR

Vibrations