Geometry & MOs

Info

ID:	438033
PubChem CID:	135227546
Reduced:	NH21C22 (1)
Stoich.:	AB21C22 (1)
Weight, g/mol:	215.1674
ΔH_f, kcal/mol:	90.46
Dipole, Da:	1.5
IP(EA), eV:	-8.21(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1E,5Z,7Z)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-methylcycloocta-1,5,7-trien-1-amine

Drug info:

PubChemData

Smile

C/C=C\C1=CC2=CC=CC=C2C(=C1C=C)N(C)C3=CC=CC=C3

DOS

IR

Vibrations