Geometry & MOs

Info

ID:	37758
PubChem CID:	8024142
Reduced:	N3O4C21H21 (1)
Stoich.:	A3B4C21D21 (1)
Weight, g/mol:	377.163195
ΔH_f, kcal/mol:	-94.64
Dipole, Da:	6.52
IP(EA), eV:	-9.48(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-[(4-ethoxyphenyl)methyl]-methylazanium

Drug info:

PubChemData

Smile

CC(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32

DOS

IR

Vibrations