Geometry & MOs

Info

ID:	200882
PubChem CID:	79458056
Reduced:	ClN2C13H19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	357.05757
ΔH_f, kcal/mol:	-12.94
Dipole, Da:	3.48
IP(EA), eV:	-8.29(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(3-bromo-4-methylbenzoyl)-(2-methoxyethyl)amino]propanoate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NC2CCCC(C2)N

DOS

IR

Vibrations