Geometry & MOs

Info

ID:	261867
PubChem CID:	103255846
Reduced:	N2O2C11H16 (1)
Stoich.:	A2B2C11D16 (1)
Weight, g/mol:	171.089543
ΔH_f, kcal/mol:	-55.42
Dipole, Da:	6.25
IP(EA), eV:	-8.2(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[(3-hydroxycyclobutyl)amino]but-2-enoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(N1NC/C(=C\C(=O)O)/C)C

DOS

IR

Vibrations