Geometry & MOs

Info

ID:	247585
PubChem CID:	103072310
Reduced:	N3C17H23 (1)
Stoich.:	A3B17C23 (1)
Weight, g/mol:	164.094963
ΔH_f, kcal/mol:	57.7
Dipole, Da:	1.68
IP(EA), eV:	-8.86(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(aminomethyl)prop-2-enyl]pyridin-4-one

Drug info:

PubChemData

Smile

CC(C)(C)NCC(=C)CN1C=C(C=N1)C2=CC=CC=C2

DOS

IR

Vibrations