Geometry & MOs

Info

ID:	392732
PubChem CID:	135017793
Reduced:	ClO2C27H27 (1)
Stoich.:	AB2C27D27 (1)
Weight, g/mol:	389.09904
ΔH_f, kcal/mol:	-35.27
Dipole, Da:	1.85
IP(EA), eV:	-8.68(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[benzyl-[(2-bromophenyl)methyl]amino]-2-methylpropanoate

Drug info:

PubChemData

Smile

CCOC1(C=C(C2=C(O1)C=CC(=C2)C(C)(C)C)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

DOS

IR

Vibrations