Geometry & MOs

Info

ID:	364515
PubChem CID:	127315767
Reduced:	ClON2C15H21 (1)
Stoich.:	ABC2D15E21 (1)
Weight, g/mol:	262.179361
ΔH_f, kcal/mol:	-40.74
Dipole, Da:	5.25
IP(EA), eV:	-8.86(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,7-dimethyl-1,4-diazepan-1-yl)-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2=CC(=C(C=C2)C)Cl)C

DOS

IR

Vibrations