Geometry & MOs

Info

ID:	122602
PubChem CID:	50813927
Reduced:	O2N4C25H26 (1)
Stoich.:	A2B4C25D26 (1)
Weight, g/mol:	443.220892
ΔH_f, kcal/mol:	-12.92
Dipole, Da:	6.51
IP(EA), eV:	-8.79(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2-hydroxyethyl)phenyl]-4-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2CCCN(C2=O)C3=CC=C(C=C3)C(=O)NCC4=CC=CC=N4

DOS

IR

Vibrations