Geometry & MOs

Info

ID:	147485
PubChem CID:	53787141
Reduced:	NPO4C6H13 (1)
Stoich.:	ABC4D6E13 (1)
Weight, g/mol:	203.094629
ΔH_f, kcal/mol:	-180.03
Dipole, Da:	5.02
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.789616
Charge, e:	0

Chem-info

IUPAC name:

4-[cyclobut-2-en-1-yl(methyl)amino]benzoic acid

Drug info:

PubChemData

Smile

CC(C[P+](C(=N)C)(O)O)C(=O)O

DOS

IR

Vibrations