Geometry & MOs

Info

ID:	369629
PubChem CID:	127334959
Reduced:	N3O3C18H23 (1)
Stoich.:	A3B3C18D23 (1)
Weight, g/mol:	333.241627
ΔH_f, kcal/mol:	-90.35
Dipole, Da:	5.32
IP(EA), eV:	-9.13(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-N-[(1-hydroxycycloheptyl)methyl]-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=O)C(=N1)C(=O)NCC3(CCCCCC3)O

DOS

IR

Vibrations