Geometry & MOs

Info

ID:	195661
PubChem CID:	78719505
Reduced:	N3O5C19H19 (1)
Stoich.:	A3B5C19D19 (1)
Weight, g/mol:	384.168522
ΔH_f, kcal/mol:	-43.71
Dipole, Da:	8.35
IP(EA), eV:	-9.12(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3-methyl-1-phenylbutyl)amino]-2-oxoethyl] 4-methyl-3-nitrobenzoate

Drug info:

PubChemData

Smile

CC(C(=O)N(CCC#N)C1=CC=CC=C1)OC2=C(C=C(C=C2)OC)[N+](=O)[O-]

DOS

IR

Vibrations