Geometry & MOs

Info

ID:	53061
PubChem CID:	14709493
Reduced:	SN2O4C20H26 (1)
Stoich.:	AB2C4D20E26 (1)
Weight, g/mol:	360.160456
ΔH_f, kcal/mol:	-131.52
Dipole, Da:	7.02
IP(EA), eV:	-9.19(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-2,2-dimethylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C(=C(C(=N2)C)C[C@@H]3[C@@H](C3(C)C)C(=O)OC)C

DOS

IR

Vibrations