Geometry & MOs

Info

ID:	349066
PubChem CID:	127274792
Reduced:	N3O3C23H33 (1)
Stoich.:	A3B3C23D33 (1)
Weight, g/mol:	289.215413
ΔH_f, kcal/mol:	-94.16
Dipole, Da:	7.61
IP(EA), eV:	-9.1(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-(3,3,5-trimethylcyclohexyl)ethanone

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1)C(=O)N2CCC(CC2)C(=O)N(CC3CCOC3)C4CC4

DOS

IR

Vibrations