Geometry & MOs

Info

ID:	306103
PubChem CID:	125001646
Reduced:	O2N3C19H23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	380.257612
ΔH_f, kcal/mol:	-44.23
Dipole, Da:	5.11
IP(EA), eV:	-8.92(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-benzyl-1-methylpiperidin-4-yl)-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C2=C(O1)CCCC2)C(=O)N3CCC[C@H](C3)C4=NC=NC=C4

DOS

IR

Vibrations