Geometry & MOs

Info

ID:	184077
PubChem CID:	77105599
Reduced:	ClON7C23H24 (1)
Stoich.:	ABC7D23E24 (1)
Weight, g/mol:	450.193487
ΔH_f, kcal/mol:	41.87
Dipole, Da:	1.29
IP(EA), eV:	-8.79(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-[5-chloro-4-(3,5-dimethylpyridin-2-yl)pyridin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3-methylmorpholine

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1)C2=CC(=NC=C2Cl)N3CCC4=NC(=NC=C4C3)N5CCNC(=O)C5)C

DOS

IR

Vibrations