Geometry & MOs

Info

ID:	197720
PubChem CID:	78988751
Reduced:	N5C11H19 (1)
Stoich.:	A5B11C19 (1)
Weight, g/mol:	203.131014
ΔH_f, kcal/mol:	34.94
Dipole, Da:	2.72
IP(EA), eV:	-8.42(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-methylphenyl)ethyl]but-2-enamide

Drug info:

PubChemData

Smile

CC(C)N1CCN(CC1)C2=NC(=CN=C2)N

DOS

IR

Vibrations