Geometry & MOs

Info

ID:	436031
PubChem CID:	135193435
Reduced:	O3N6C24H26 (1)
Stoich.:	A3B6C24D26 (1)
Weight, g/mol:	340.251464
ΔH_f, kcal/mol:	-9.03
Dipole, Da:	4.02
IP(EA), eV:	-9.28(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[3-[[(Z,2E)-2-(6-methylcyclohexa-2,4-dien-1-ylidene)-3-methylidenehept-4-enyl]amino]propyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC(=O)C2=NN(C3=C2CN(CC3)C(=O)C4=NC=C5N4C=CC5)CCO

DOS

IR

Vibrations