Geometry & MOs

Info

ID:	274267
PubChem CID:	103808104
Reduced:	Cl2O2N3C10H11 (1)
Stoich.:	A2B2C3D10E11 (1)
Weight, g/mol:	250.168128
ΔH_f, kcal/mol:	-79.09
Dipole, Da:	1.55
IP(EA), eV:	-10.28(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC(CC(=O)N)NC(=O)C1=C(N=C(C=C1)Cl)Cl

DOS

IR

Vibrations