Geometry & MOs

Info

ID:	402036
PubChem CID:	135053955
Reduced:	BrNO3H18C19 (1)
Stoich.:	ABC3D18E19 (1)
Weight, g/mol:	386.184172
ΔH_f, kcal/mol:	-54.59
Dipole, Da:	5.59
IP(EA), eV:	-8.53(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1R,2R)-2-nitro-1-phenyl-3-phenylmethoxypropyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=O)O[C@H]1[C@H](C2=CC=C(C=C2)Br)NC3=CC=CC=C3OC

DOS

IR

Vibrations