Geometry & MOs

Info

ID:	10126
PubChem CID:	97787
Reduced:	NO3C8H13 (1)
Stoich.:	AB3C8D13 (1)
Weight, g/mol:	171.089543
ΔH_f, kcal/mol:	-127.13
Dipole, Da:	4.11
IP(EA), eV:	-10.27(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(butylamino)-4-oxobut-2-enoic acid

Drug info:

PubChemData

Smile

CCCCNC(=O)C=CC(=O)O

DOS

IR

Vibrations