Geometry & MOs

Info

ID:	314572
PubChem CID:	126622220
Reduced:	NC7H7 (3)
Stoich.:	AB7C7 (3)
Weight, g/mol:	263.115758
ΔH_f, kcal/mol:	75.05
Dipole, Da:	3.38
IP(EA), eV:	-8.78(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[but-3-enyl-[(4-methoxyphenyl)methyl]amino]-2-oxoacetic acid

Drug info:

PubChemData

Smile

CCCCCC1=CC2=C(C=CC=C2N=C1N)C3=CC=CC(=C3)C#N

DOS

IR

Vibrations