Geometry & MOs

Info

ID:	132638
PubChem CID:	51390014
Reduced:	ClO2N3C12H18 (1)
Stoich.:	AB2C3D12E18 (1)
Weight, g/mol:	461.10381
ΔH_f, kcal/mol:	-74.62
Dipole, Da:	6.12
IP(EA), eV:	-9.17(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C(=O)N[C@H](C)[C@@H]2CCCO2)Cl

DOS

IR

Vibrations