Geometry & MOs

Info

ID:	364036
PubChem CID:	127313707
Reduced:	ON2C7H7 (2)
Stoich.:	AB2C7D7 (2)
Weight, g/mol:	332.163711
ΔH_f, kcal/mol:	40.78
Dipole, Da:	3.37
IP(EA), eV:	-9.9(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl(6,7,8,9-tetrahydro-5H-carbazol-1-yl)methanone

Drug info:

PubChemData

Smile

C1CC1C2=CC(=NO2)C(=O)N3CCC4=CN=CN=C4C3

DOS

IR

Vibrations