Geometry & MOs

Info

ID:	136176
PubChem CID:	51991384
Reduced:	BrNCl2O2C18H21 (1)
Stoich.:	ABC2D2E18F21 (1)
Weight, g/mol:	384.204907
ΔH_f, kcal/mol:	-39.03
Dipole, Da:	5.67
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.020486
Charge, e:	0

Chem-info

IUPAC name:

2-[2-methoxy-6-[[[(2R)-oxolan-2-yl]methylamino]methyl]phenoxy]-N-(4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC(C)[NH2+]CC1=CC(=C(C(=C1)Br)OCC2=C(C=CC=C2Cl)Cl)OC

DOS

IR

Vibrations