Geometry & MOs

Info

ID:	189393
PubChem CID:	77849397
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	420.111981
ΔH_f, kcal/mol:	-53.14
Dipole, Da:	2.16
IP(EA), eV:	-8.71(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,6-dichlorophenyl)methyl]-N-ethyl-4-oxo-N-(pyridin-4-ylmethyl)-1,3-diazinane-5-carboxamide

Drug info:

PubChemData

Smile

CCCC1CN(CC1NC(=O)C)C2=NC3=CC=CC=C3O2

DOS

IR

Vibrations