Geometry & MOs

Info

ID:	122601
PubChem CID:	50813926
Reduced:	O2N3C23H27 (1)
Stoich.:	A2B3C23D27 (1)
Weight, g/mol:	414.205576
ΔH_f, kcal/mol:	-50.8
Dipole, Da:	7.1
IP(EA), eV:	-8.77(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2CCCN(C2=O)C3=CC=C(C=C3)C(=O)N4CCCC4

DOS

IR

Vibrations