Geometry & MOs

Info

ID:	424085
PubChem CID:	135121275
Reduced:	O2N5C22H25 (1)
Stoich.:	A2B5C22D25 (1)
Weight, g/mol:	405.216475
ΔH_f, kcal/mol:	19.21
Dipole, Da:	8.38
IP(EA), eV:	-8.44(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-(2-morpholin-4-yl-8-pyrazolidin-3-yl-1H-1,7-naphthyridin-4-ylidene)cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CC(=NC3=C2C=CN=C3C4CCNN4)N5CCOCC5

DOS

IR

Vibrations