Geometry & MOs

Info

ID:	421608
PubChem CID:	135116296
Reduced:	N2O4C19H28 (1)
Stoich.:	A2B4C19D28 (1)
Weight, g/mol:	322.124132
ΔH_f, kcal/mol:	-161.76
Dipole, Da:	4.54
IP(EA), eV:	-8.86(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(difluoromethyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=CC(=C(C=C1)OCC(=O)N)OC)C2C[C@@H]3CC(C[C@@H]3C2)O

DOS

IR

Vibrations