Geometry & MOs

Info

ID:	59976
PubChem CID:	26512312
Reduced:	ClN2O3C20H26 (1)
Stoich.:	AB2C3D20E26 (1)
Weight, g/mol:	317.167674
ΔH_f, kcal/mol:	-76.24
Dipole, Da:	4.69
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.760292
Charge, e:	1

Chem-info

IUPAC name:

[4-(difluoromethoxy)phenyl]methyl-[2-[[(2R)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-methylazanium

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1Cl)NC(=O)C[NH+](C)CC2=C(C=C(C=C2)OC)OC

DOS

IR

Vibrations