Geometry & MOs

Info

ID:	58625
PubChem CID:	24712321
Reduced:	ClO2N3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	319.14514
ΔH_f, kcal/mol:	-52.39
Dipole, Da:	8.38
IP(EA), eV:	-9.22(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[(3-chlorophenyl)methyl]imidazol-2-yl]methyl]-N-ethyl-2-methylpropanamide

Drug info:

PubChemData

Smile

CC(=O)N(CC1CCCO1)CC2=NC=CN2CC3=CC=CC=C3Cl

DOS

IR

Vibrations