Geometry & MOs

Info

ID:	217950
PubChem CID:	85088635
Reduced:	N4O5C21H26 (1)
Stoich.:	A4B5C21D26 (1)
Weight, g/mol:	414.169191
ΔH_f, kcal/mol:	-140.49
Dipole, Da:	5.31
IP(EA), eV:	-9.56(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N'-[4-[(benzylideneamino)carbamoyl]phenyl]propanediamide

Drug info:

PubChemData

Smile

CC(C)C1COC(=O)N1C(=O)C(C2(CCCC2)C(=O)OCC3=CC=CC=C3)N=[N+]=[N-]

DOS

IR

Vibrations