Geometry & MOs

Info

ID:	197501
PubChem CID:	78971759
Reduced:	NOC12H21 (1)
Stoich.:	ABC12D21 (1)
Weight, g/mol:	222.100442
ΔH_f, kcal/mol:	-68.62
Dipole, Da:	3.33
IP(EA), eV:	-9.48(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2R)-2-aminopropanoyl]amino]-4-methylbenzoic acid

Drug info:

PubChemData

Smile

CC=CC(=O)NCC1CCCCC1C

DOS

IR

Vibrations