Geometry & MOs

Info

ID:	249697
PubChem CID:	103091418
Reduced:	N3C10H17 (1)
Stoich.:	A3B10C17 (1)
Weight, g/mol:	202.110613
ΔH_f, kcal/mol:	25.71
Dipole, Da:	4.82
IP(EA), eV:	-8.71(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(E)-3-aminobut-1-enyl]-2-methoxybenzonitrile

Drug info:

PubChemData

Smile

CCCN1C=NC=C1/C=C/C(C)N

DOS

IR

Vibrations