Geometry & MOs

Info

ID:	133770
PubChem CID:	51587804
Reduced:	FO3N4H21C22 (1)
Stoich.:	AB3C4D21E22 (1)
Weight, g/mol:	361.135031
ΔH_f, kcal/mol:	-84.24
Dipole, Da:	6.18
IP(EA), eV:	-8.68(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C(=O)N[C@H]2CC(=O)N(C2)C3=CC(=CC=C3)OC)C4=CC=C(C=C4)F

DOS

IR

Vibrations