Geometry & MOs

Info

ID:	438053
PubChem CID:	135227566
Reduced:	NH19C21 (1)
Stoich.:	AB19C21 (1)
Weight, g/mol:	217.18305
ΔH_f, kcal/mol:	102.54
Dipole, Da:	0.82
IP(EA), eV:	-7.68(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,5Z)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-methylhepta-3,5-dien-3-amine

Drug info:

PubChemData

Smile

CN(C1=C2C=CC=CC2=C3C=CC=CC3C1)C4=CC=CC=C4

DOS

IR

Vibrations