Geometry & MOs

Info

ID:	299312
PubChem CID:	117682591
Reduced:	NOC20H27 (1)
Stoich.:	ABC20D27 (1)
Weight, g/mol:	595.204848
ΔH_f, kcal/mol:	-24.84
Dipole, Da:	1.4
IP(EA), eV:	-8.79(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-phenanthro[9,10-b]pyrazin-3-ylnaphthalen-1-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)OC2=CC=C(C=C2)C(C)(C)CC(C)(C)C

DOS

IR

Vibrations