Geometry & MOs

Info

ID:	305724
PubChem CID:	124966635
Reduced:	SO2N5C16H23 (1)
Stoich.:	AB2C5D16E23 (1)
Weight, g/mol:	336.169859
ΔH_f, kcal/mol:	-21.19
Dipole, Da:	2.88
IP(EA), eV:	-8.98(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-(7-methylimidazo[1,5-c]pyrimidin-5-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C2=NC=C(C=C2)C[C@H]3CCN(C3)S(=O)(=O)N(C)C

DOS

IR

Vibrations