Geometry & MOs

Info

ID:	14650
PubChem CID:	416913
Reduced:	O3N4C29H30 (1)
Stoich.:	A3B4C29D30 (1)
Weight, g/mol:	482.231791
ΔH_f, kcal/mol:	27.03
Dipole, Da:	7.01
IP(EA), eV:	-8.72(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[cyano-(4-methoxyphenyl)methyl]-2-(4-methoxyphenyl)-1,3-diazinan-1-yl]-2-(4-methoxyphenyl)acetonitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2N(CCCN2C(C#N)C3=CC=C(C=C3)OC)C(C#N)C4=CC=C(C=C4)OC

DOS

IR

Vibrations