Geometry & MOs

Info

ID:	154265
PubChem CID:	56313674
Reduced:	N3O3C20H21 (1)
Stoich.:	A3B3C20D21 (1)
Weight, g/mol:	352.215078
ΔH_f, kcal/mol:	0.22
Dipole, Da:	4.31
IP(EA), eV:	-9.42(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-tert-butyl-1-N-(3-phenylbutyl)benzene-1,4-dicarboxamide

Drug info:

PubChemData

Smile

CC(CCNC(=O)CN1C=CC2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3

DOS

IR

Vibrations