Geometry & MOs

Info

ID:	366841
PubChem CID:	127320469
Reduced:	ON4C18H24 (1)
Stoich.:	AB4C18D24 (1)
Weight, g/mol:	235.168462
ΔH_f, kcal/mol:	11.23
Dipole, Da:	5.5
IP(EA), eV:	-9.32(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,5-dimethylpyrazol-3-yl)-(2-methylazepan-1-yl)methanone

Drug info:

PubChemData

Smile

CC1CCCCCN1C(=O)CC2=C(N(N=N2)C3=CC=CC=C3)C

DOS

IR

Vibrations