Geometry & MOs

Info

ID:	333172
PubChem CID:	127251720
Reduced:	FO3N5C20H20 (1)
Stoich.:	AB3C5D20E20 (1)
Weight, g/mol:	398.243024
ΔH_f, kcal/mol:	-79.3
Dipole, Da:	6.28
IP(EA), eV:	-9.01(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-aminopyrido[2,3-d]pyrimidin-7-yl)morpholin-4-yl]-4-(azepan-1-yl)butan-1-one

Drug info:

PubChemData

Smile

CC1=NC(=C2C=CC(=NC2=N1)C3CN(CCO3)C(=O)COC4=CC=C(C=C4)F)N

DOS

IR

Vibrations