Geometry & MOs

Info

ID:	194349
PubChem CID:	78521115
Reduced:	N3O7H17C20 (1)
Stoich.:	A3B7C17D20 (1)
Weight, g/mol:	423.204573
ΔH_f, kcal/mol:	-81.77
Dipole, Da:	6.97
IP(EA), eV:	-8.72(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(N-cyclohexylanilino)-2-oxoethyl] 3-(3,4-dimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=CC(=O)OCC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])OC

DOS

IR

Vibrations