Geometry & MOs

Info

ID:	37812
PubChem CID:	8024763
Reduced:	N2O3C13H22 (1)
Stoich.:	A2B3C13D22 (1)
Weight, g/mol:	229.157898
ΔH_f, kcal/mol:	-71.23
Dipole, Da:	3.61
IP(EA), eV:	-8.71(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[N-methyl-4-[(prop-2-enylamino)methyl]anilino]propanenitrile

Drug info:

PubChemData

Smile

C[NH+](C)CC[NH2+]CC1=CC2=C(C(=C1)OC)OCO2

DOS

IR

Vibrations