Geometry & MOs

Info

ID:	178666
PubChem CID:	76364783
Reduced:	ClO2N5C22H24 (1)
Stoich.:	AB2C5D22E24 (1)
Weight, g/mol:	415.204196
ΔH_f, kcal/mol:	18.32
Dipole, Da:	6.31
IP(EA), eV:	-8.72(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-2-[6-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]pyridin-3-yl]-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C(=O)NC2CC(NN2)C3=CC=CC=C3OC)Cl)CC4=CC=CC=C4

DOS

IR

Vibrations