Geometry & MOs

Info

ID:	249942
PubChem CID:	103093013
Reduced:	N2C13H16 (1)
Stoich.:	A2B13C16 (1)
Weight, g/mol:	179.142248
ΔH_f, kcal/mol:	51.23
Dipole, Da:	6.78
IP(EA), eV:	-9.28(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,3-dimethyl-4-(3-methylimidazol-4-yl)but-3-en-2-amine

Drug info:

PubChemData

Smile

CC(/C(=C/C1=CC=C(C=C1)C#N)/C)NC

DOS

IR

Vibrations