Geometry & MOs

Info

ID:	38031
PubChem CID:	8026495
Reduced:	O3N6C18H20 (1)
Stoich.:	A3B6C18D20 (1)
Weight, g/mol:	406.165443
ΔH_f, kcal/mol:	-18.47
Dipole, Da:	5.27
IP(EA), eV:	-8.86(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-methyl-6,10-diphenyl-2-pyridin-4-yl-1,5,6,8,10,11,12-heptazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraene

Drug info:

PubChemData

Smile

CCC1=NOC(=C1C(=O)OCC2=NC(=NC(=N2)NC3=CC=C(C=C3)C)N)C

DOS

IR

Vibrations