Geometry & MOs

Info

ID:	368072
PubChem CID:	127327173
Reduced:	NO2C16H29 (1)
Stoich.:	AB2C16D29 (1)
Weight, g/mol:	277.215413
ΔH_f, kcal/mol:	-132.47
Dipole, Da:	5.73
IP(EA), eV:	-9.19(1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-tert-butylazepan-1-yl)-(1,3-dimethylpyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(C)C1CCCN(CC1)C(=O)C2CCOCC2

DOS

IR

Vibrations