Geometry & MOs

Info

ID:	177609
PubChem CID:	76203828
Reduced:	ClNO3C14H14 (1)
Stoich.:	ABC3D14E14 (1)
Weight, g/mol:	261.100108
ΔH_f, kcal/mol:	-81.9
Dipole, Da:	2.71
IP(EA), eV:	-9.61(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[cyclopropyl-[3-(4-hydroxyphenyl)prop-2-enoyl]amino]acetic acid

Drug info:

PubChemData

Smile

C1CC1N(CC(=O)O)C(=O)C=CC2=CC=C(C=C2)Cl

DOS

IR

Vibrations