Geometry & MOs

Info

ID:	55990
PubChem CID:	17398256
Reduced:	ClO2N3C17H26 (1)
Stoich.:	AB2C3D17E26 (1)
Weight, g/mol:	380.069448
ΔH_f, kcal/mol:	-87.55
Dipole, Da:	4.96
IP(EA), eV:	-8.36(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-[1-(2,4-dichlorophenyl)ethylamino]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(C)C(=O)NC2=C(C=C(C(=C2)C)Cl)OC

DOS

IR

Vibrations