Geometry & MOs

Info

ID:	249696
PubChem CID:	103091415
Reduced:	NOC5H6 (2)
Stoich.:	ABC5D6 (2)
Weight, g/mol:	179.142248
ΔH_f, kcal/mol:	23.74
Dipole, Da:	5.5
IP(EA), eV:	-9.61(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(3-propylimidazol-4-yl)but-3-en-2-amine

Drug info:

PubChemData

Smile

CC(/C=C/C1=CC=CC=C1[N+](=O)[O-])N

DOS

IR

Vibrations