Geometry & MOs

Info

ID:	366875
PubChem CID:	127321777
Reduced:	ON2C13H24 (1)
Stoich.:	AB2C13D24 (1)
Weight, g/mol:	247.168462
ΔH_f, kcal/mol:	-62.79
Dipole, Da:	3.79
IP(EA), eV:	-8.79(1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methylazepan-1-yl)-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1CCCCCN1C(=O)C2CCCN2C

DOS

IR

Vibrations