Geometry & MOs

Info

ID:	177613
PubChem CID:	76203832
Reduced:	BrNO3C14H14 (1)
Stoich.:	ABC3D14E14 (1)
Weight, g/mol:	245.105193
ΔH_f, kcal/mol:	-63.81
Dipole, Da:	1.91
IP(EA), eV:	-9.9(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[cyclopropyl(3-phenylprop-2-enoyl)amino]acetic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations