Geometry & MOs

Info

ID:	305949
PubChem CID:	124975492
Reduced:	O3N4C22H24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	321.15896
ΔH_f, kcal/mol:	-29.39
Dipole, Da:	2.82
IP(EA), eV:	-9.23(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-(7-methylimidazo[1,5-c]pyrimidin-5-yl)piperidin-1-yl]-pyridin-4-ylmethanone

Drug info:

PubChemData

Smile

COCCOC1=CC=C(C=C1)C(=O)N2CCC[C@H]2C3=NC(=CC=C3)N4C=CN=C4

DOS

IR

Vibrations