Geometry & MOs

Info

ID:	156273
PubChem CID:	56369913
Reduced:	BrO2N4C18H21 (1)
Stoich.:	AB2C4D18E21 (1)
Weight, g/mol:	386.15902
ΔH_f, kcal/mol:	-36.09
Dipole, Da:	5.02
IP(EA), eV:	-9.22(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[methyl-[3-nitro-4-(1-pyridin-2-ylethylamino)benzoyl]amino]acetate

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)N2CCC(CC2)NC(=O)C3=CN=CC=C3)Br

DOS

IR

Vibrations