Geometry & MOs

Info

ID:	305680
PubChem CID:	124965383
Reduced:	FON5C19H24 (1)
Stoich.:	ABC5D19E24 (1)
Weight, g/mol:	455.232125
ΔH_f, kcal/mol:	-28.96
Dipole, Da:	1.03
IP(EA), eV:	-9.16(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-(3,7-dimethylimidazo[1,5-c]pyrimidin-5-yl)piperidin-1-yl]-[2-[(2-methoxyphenyl)methyl]pyridin-4-yl]methanone

Drug info:

PubChemData

Smile

C1CN(C[C@@H]1C2=NC(=NC=C2)NC3=NC=CC(=C3)F)CC4CCOCC4

DOS

IR

Vibrations