Geometry & MOs

Info

ID:	259092
PubChem CID:	103158195
Reduced:	BrN2O4C14H19 (1)
Stoich.:	AB2C4D14E19 (1)
Weight, g/mol:	300.087685
ΔH_f, kcal/mol:	-172.38
Dipole, Da:	2.44
IP(EA), eV:	-9.29(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-chloro-2-methylphenyl)carbamoylamino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1NC(=O)NCC(CC(=O)O)OC)C)Br

DOS

IR

Vibrations