Geometry & MOs

Info

ID:	45968
PubChem CID:	10519875
Reduced:	N2O4C17H26 (1)
Stoich.:	A2B4C17D26 (1)
Weight, g/mol:	322.168128
ΔH_f, kcal/mol:	-191.19
Dipole, Da:	7.11
IP(EA), eV:	-9.6(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-6-[[[(E)-2-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]hex-4-enyl]amino]methylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC[C@@H](C[C@@H]([C@@H](C)NC(=O)[C@H](CC(=O)O)N)O)C1=CC=CC=C1

DOS

IR

Vibrations