Geometry & MOs

Info

ID:	179733
PubChem CID:	76522322
Reduced:	NO3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	408.177075
ΔH_f, kcal/mol:	-105.41
Dipole, Da:	7.19
IP(EA), eV:	-9.64(0.08)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)N(CC=CC1COC1=C)C(=O)O

DOS

IR

Vibrations