Geometry & MOs

Info

ID:	299748
PubChem CID:	117689146
Reduced:	OF2N3C11H13 (1)
Stoich.:	AB2C3D11E13 (1)
Weight, g/mol:	481.197712
ΔH_f, kcal/mol:	-67.63
Dipole, Da:	3.21
IP(EA), eV:	-9.64(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(R)-cyclopropyl-[4-(difluoromethoxy)phenyl]methyl]-2-[1-(4-fluorophenyl)cyclopropyl]-N-(pyridazin-3-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CC(C)C(C1=CC=C(C=C1)OC(F)F)N=[N+]=[N-]

DOS

IR

Vibrations