Geometry & MOs

Info

ID:	333376
PubChem CID:	127251928
Reduced:	FO3N5C23H28 (1)
Stoich.:	AB3C5D23E28 (1)
Weight, g/mol:	439.238353
ΔH_f, kcal/mol:	-129.66
Dipole, Da:	5.34
IP(EA), eV:	-9.14(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-fluorophenyl)oxan-4-yl]-[3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=C(C1)N=C(N=C2NC)C3CCN(C3)C(=O)CCOC4=CC(=CC=C4)F

DOS

IR

Vibrations