Geometry & MOs

Info

ID:	247633
PubChem CID:	103072486
Reduced:	ON2C16H18 (1)
Stoich.:	AB2C16D18 (1)
Weight, g/mol:	221.189198
ΔH_f, kcal/mol:	22.25
Dipole, Da:	5.3
IP(EA), eV:	-8.72(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-propyl-2-[(2-propylimidazol-1-yl)methyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

C=C(CNC1CC1)CN2C(=O)C=CC3=CC=CC=C32

DOS

IR

Vibrations