Geometry & MOs

Info

ID:	363473
PubChem CID:	127311276
Reduced:	OS2N4C17H18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	372.252526
ΔH_f, kcal/mol:	57.9
Dipole, Da:	5.85
IP(EA), eV:	-9.02(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]cyclohexyl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2CCCN(C2)C(=O)C3=CN=C(S3)C4=CSC=C4

DOS

IR

Vibrations