Geometry & MOs

Info

ID:	331804
PubChem CID:	127250088
Reduced:	ClO2N4C24H27 (1)
Stoich.:	AB2C4D24E27 (1)
Weight, g/mol:	438.172562
ΔH_f, kcal/mol:	-27.86
Dipole, Da:	9.44
IP(EA), eV:	-8.87(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-[(4-ethoxyphenyl)methyl]pyridin-2-yl]morpholin-4-yl]-(4-ethylthiadiazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=NC=CN1CCCC(=O)N2CCOC(C2)C3=CC=CC(=N3)CC4=CC(=CC=C4)Cl

DOS

IR

Vibrations