Geometry & MOs

Info

ID:	243091
PubChem CID:	99215483
Reduced:	O3N6C22H22 (1)
Stoich.:	A3B6C22D22 (1)
Weight, g/mol:	459.182792
ΔH_f, kcal/mol:	45.55
Dipole, Da:	9.83
IP(EA), eV:	-9.26(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[5-(4-methoxyphenyl)pentanoyl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2=CC(=CC=C2)[N+](=O)[O-])N3CCCN(CC3)C(=O)C4=CC=CC=N4

DOS

IR

Vibrations