Geometry & MOs

Info

ID:	179734
PubChem CID:	76522323
Reduced:	N3O7C19H26 (1)
Stoich.:	A3B7C19D26 (1)
Weight, g/mol:	409.1849
ΔH_f, kcal/mol:	-182.97
Dipole, Da:	7.36
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.759673
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[[3-(1-morpholin-4-yl-1-oxopropan-2-yl)oxy-4-nitrophenyl]methyl]carbamic acid

Drug info:

PubChemData

Smile

CC(C(=O)N1CCOCC1)OC2=C(C=CC(=C2)CN(C(=O)[O-])C(C)(C)C)[N+](=O)[O-]

DOS

IR

Vibrations