Geometry & MOs

Info

ID:	75154
PubChem CID:	48423097
Reduced:	ClO2N3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	327.194677
ΔH_f, kcal/mol:	-28.54
Dipole, Da:	4.53
IP(EA), eV:	-9.45(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1-benzylimidazol-2-yl)ethyl]-2-(cyclopropylmethoxy)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CN2C=C(C=CC2=N1)Cl)OCC3CC3

DOS

IR

Vibrations