Geometry & MOs

Info

ID:	14746
PubChem CID:	419414
Reduced:	N3O5C28H33 (1)
Stoich.:	A3B5C28D33 (1)
Weight, g/mol:	491.242021
ΔH_f, kcal/mol:	-57.94
Dipole, Da:	9.05
IP(EA), eV:	-8.56(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-ethoxy-5-nitrophenyl)-1,3-bis[(4-methoxyphenyl)methyl]-1,3-diazinane

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)[N+](=O)[O-])C2N(CCCN2CC3=CC=C(C=C3)OC)CC4=CC=C(C=C4)OC

DOS

IR

Vibrations