Geometry & MOs

Info

ID:	73799
PubChem CID:	48420483
Reduced:	NO4H23C24 (1)
Stoich.:	AB4C23D24 (1)
Weight, g/mol:	419.148121
ΔH_f, kcal/mol:	-91.82
Dipole, Da:	5.58
IP(EA), eV:	-9.35(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[phenyl(pyridin-4-yl)methyl] 4-morpholin-4-yl-3-nitrobenzoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)CCC(=O)OC(C2=CC=CC=C2)C3=CC=NC=C3

DOS

IR

Vibrations