Geometry & MOs

Info

ID:	347183
PubChem CID:	127271724
Reduced:	O3N5C21H29 (1)
Stoich.:	A3B5C21D29 (1)
Weight, g/mol:	390.241962
ΔH_f, kcal/mol:	-54.19
Dipole, Da:	5.07
IP(EA), eV:	-9.22(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-cyclohexyl-1-methylpyrazol-4-yl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)C2CCN(CC2)C(=O)C3=CN(N=C3C4CCCCC4)C

DOS

IR

Vibrations