Geometry & MOs

Info

ID:	180695
PubChem CID:	76670254
Reduced:	N6O11C39H70 (1)
Stoich.:	A6B11C39D70 (1)
Weight, g/mol:	382.114042
ΔH_f, kcal/mol:	-578.68
Dipole, Da:	8.92
IP(EA), eV:	-9.43(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[1-(2,4-dimethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)ethyl]-4-(trifluoromethyl)benzohydrazide

Drug info:

PubChemData

Smile

C(CCCC(=O)NCCCCCNC(=O)NC(CCC(=O)O)C(=O)O)CCC(=O)CC(CCCCCC(=O)C(CCCCN)NC(=O)CCCCCN)C(=O)O

DOS

IR

Vibrations