Geometry & MOs

Info

ID:	379582
PubChem CID:	134447663
Reduced:	O2N4C13H18 (1)
Stoich.:	A2B4C13D18 (1)
Weight, g/mol:	401.30825
ΔH_f, kcal/mol:	-26.86
Dipole, Da:	5.69
IP(EA), eV:	-9.34(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,5E,7E,9Z)-5-cyclopropyl-8-(5-ethyl-6-methylcyclohepta-1,4,6-trien-1-yl)-6,7-dimethyl-3-prop-1-en-2-ylundeca-1,3,5,7,9-pentaen-2-amine

Drug info:

PubChemData

Smile

CCOC1=NC=C(N=C1C)CN2C(=CC(=N2)CO)C

DOS

IR

Vibrations