Geometry & MOs

Info

ID:	302775
PubChem CID:	124395102
Reduced:	BrN2O4H13C17 (1)
Stoich.:	AB2C4D13E17 (1)
Weight, g/mol:	396.179755
ΔH_f, kcal/mol:	2.95
Dipole, Da:	1.24
IP(EA), eV:	-9.36(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-(2-methoxy-4-piperidin-1-ylphenyl)methylideneamino]-2-(2-nitrophenyl)acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C(/C#N)\C2=CC(=CC=C2)[N+](=O)[O-])Br)O

DOS

IR

Vibrations