Geometry & MOs

Info

ID:	347152
PubChem CID:	127271693
Reduced:	NOC13H25 (1)
Stoich.:	ABC13D25 (1)
Weight, g/mol:	291.194677
ΔH_f, kcal/mol:	-87.96
Dipole, Da:	4.02
IP(EA), eV:	-9.08(1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-cyclohexyl-1-methylpyrazol-4-yl)-(1,4-oxazepan-4-yl)methanone

Drug info:

PubChemData

Smile

CCC(C)(C)C(=O)N1CCCC(CC1)C

DOS

IR

Vibrations