Geometry & MOs

Info

ID:	424086
PubChem CID:	135121277
Reduced:	O2N5C23H27 (1)
Stoich.:	A2B5C23D27 (1)
Weight, g/mol:	412.201159
ΔH_f, kcal/mol:	18.75
Dipole, Da:	6.83
IP(EA), eV:	-7.86(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(8-pyrazolidin-3-yl-4-quinolin-3-yl-1,7-naphthyridin-2-yl)morpholine

Drug info:

PubChemData

Smile

CC1=CC(=C2C=C(NC3=C2C=CN=C3C4CCNN4)N5CCOCC5)C=C(C1=O)C

DOS

IR

Vibrations