Geometry & MOs

Info

ID:	305512
PubChem CID:	124958086
Reduced:	N6C19H24 (1)
Stoich.:	A6B19C24 (1)
Weight, g/mol:	390.205576
ΔH_f, kcal/mol:	106.05
Dipole, Da:	4.14
IP(EA), eV:	-8.7(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-3-[4-(4-methoxyphenyl)-6-methylpyridin-2-yl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCCC[C@H]2C3=CN=C(C=C3)C4=CN(N=C4)C

DOS

IR

Vibrations