Geometry & MOs

Info

ID:	310565
PubChem CID:	126582219
Reduced:	ClO2N4C40H51 (1)
Stoich.:	AB2C4D40E51 (1)
Weight, g/mol:	166.146999
ΔH_f, kcal/mol:	-55.01
Dipole, Da:	5.06
IP(EA), eV:	-8.6(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,4-dimethylpentan-2-yl)-1H-pyrazole

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)Cl)CN2CCC3=C(C2)C=CC(=C3)C4=C(C(=C(N=C4CN5CCC6(CC6)CC5)C)CC(=O)O)N7CCC(CC7)(C)C

DOS

IR

Vibrations