Geometry & MOs

Info

ID:	194488
PubChem CID:	78544392
Reduced:	ClN2O5H17C18 (1)
Stoich.:	AB2C5D17E18 (1)
Weight, g/mol:	388.118985
ΔH_f, kcal/mol:	-106.86
Dipole, Da:	4.68
IP(EA), eV:	-9.74(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 4-chlorobenzoate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OCC(=O)NC(C)C2=CC=CC=C2Cl

DOS

IR

Vibrations