Geometry & MOs

Info

ID:	347157
PubChem CID:	127271698
Reduced:	ON5C15H21 (1)
Stoich.:	AB5C15D21 (1)
Weight, g/mol:	353.210327
ΔH_f, kcal/mol:	24.2
Dipole, Da:	8.07
IP(EA), eV:	-8.74(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-1-methyl-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CCCCC2)C(=O)NC3=CC=NN3C

DOS

IR

Vibrations