Geometry & MOs

Info

ID:	369632
PubChem CID:	127334962
Reduced:	SN2O3C17H30 (1)
Stoich.:	AB2C3D17E30 (1)
Weight, g/mol:	353.210327
ΔH_f, kcal/mol:	-180.55
Dipole, Da:	3.98
IP(EA), eV:	-8.84(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopropyl-N-[(1-hydroxycycloheptyl)methyl]-1-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)(CNC(=O)CSCC(=O)N2CCCCC2)O

DOS

IR

Vibrations