Geometry & MOs

Info

ID:	151599
PubChem CID:	55161599
Reduced:	ClN3C13H16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	277.134575
ΔH_f, kcal/mol:	37.16
Dipole, Da:	2.85
IP(EA), eV:	-9.03(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chloro-4-methylphenyl)-(1-ethylimidazol-2-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(C2=NC=CN2C)NC)Cl

DOS

IR

Vibrations