Geometry & MOs

Info

ID:	287514
PubChem CID:	104245656
Reduced:	ClN3C17H18 (1)
Stoich.:	AB3C17D18 (1)
Weight, g/mol:	299.118925
ΔH_f, kcal/mol:	67.32
Dipole, Da:	6.2
IP(EA), eV:	-9.06(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-3-cyclopentyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C(=C(C(=N2)C3CCCC3)C#N)Cl)C

DOS

IR

Vibrations