Geometry & MOs

Info

ID:	192296
PubChem CID:	78254337
Reduced:	N2O3C22H26 (1)
Stoich.:	A2B3C22D26 (1)
Weight, g/mol:	289.215413
ΔH_f, kcal/mol:	-45.34
Dipole, Da:	2.45
IP(EA), eV:	-8.38(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-(4-methylanilino)-5-pentyl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC(C)CC1N2C(C=C(N2)C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4O1

DOS

IR

Vibrations