Geometry & MOs

Info

ID:	19768
PubChem CID:	572368
Reduced:	N5O7C22H25 (1)
Stoich.:	A5B7C22D25 (1)
Weight, g/mol:	471.175398
ΔH_f, kcal/mol:	-88.02
Dipole, Da:	8.23
IP(EA), eV:	-9.14(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-hexan-2-ylidenehydrazinyl)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3,5-dinitrobenzamide

Drug info:

PubChemData

Smile

CCCCC(=NNC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C

DOS

IR

Vibrations