Geometry & MOs

Info

ID:	326833
PubChem CID:	126688312
Reduced:	O4N5H23C24 (1)
Stoich.:	A4B5C23D24 (1)
Weight, g/mol:	353.158685
ΔH_f, kcal/mol:	-37.14
Dipole, Da:	4.34
IP(EA), eV:	-8.8(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(3-hydroxypropylamino)-5-nitro-2-propan-2-yloxyphenyl]morpholin-3-one

Drug info:

PubChemData

Smile

C1CC1(CN2C3=C(C=C(C=C3)N4CCOCC4=O)N=C2NC(=O)C5=CC=CC(=C5)C#N)CO

DOS

IR

Vibrations