Geometry & MOs

Info

ID:	261411
PubChem CID:	103231502
Reduced:	ClNO2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	223.132077
ΔH_f, kcal/mol:	-65.87
Dipole, Da:	5.27
IP(EA), eV:	-9.05(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[(2-methoxyphenyl)methylamino]propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(C2CC2)C(=O)O)Cl

DOS

IR

Vibrations