Geometry & MOs

Info

ID:	133771
PubChem CID:	51588094
Reduced:	F2O2N5C17H17 (1)
Stoich.:	A2B2C5D17E17 (1)
Weight, g/mol:	361.135031
ΔH_f, kcal/mol:	-77.31
Dipole, Da:	2.5
IP(EA), eV:	-8.9(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(difluoromethyl)-N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=CN=C1[C@@H](C2=CC(=CC=C2)OC)NC(=O)C3=NN(C=C3)C(F)F

DOS

IR

Vibrations