Geometry & MOs

Info

ID:	287515
PubChem CID:	104245657
Reduced:	ClN3C17H18 (1)
Stoich.:	AB3C17D18 (1)
Weight, g/mol:	266.129824
ΔH_f, kcal/mol:	64.17
Dipole, Da:	5.29
IP(EA), eV:	-9.59(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-3-cyclopentyl-1-[2-(dimethylamino)ethyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C3CCCC3)C#N)Cl

DOS

IR

Vibrations