Geometry & MOs

Info

ID:	305694
PubChem CID:	124965819
Reduced:	OSN5C18H21 (1)
Stoich.:	ABC5D18E21 (1)
Weight, g/mol:	324.169859
ΔH_f, kcal/mol:	60.34
Dipole, Da:	3.88
IP(EA), eV:	-8.84(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-imidazol-1-yl-1-[(2R)-2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NC=C(S1)CN2CCO[C@@H](C2)C3=CC=CC(=N3)C4=CN(N=C4)C

DOS

IR

Vibrations