Geometry & MOs

Info

ID:	331760
PubChem CID:	127250044
Reduced:	O2N3C27H33 (1)
Stoich.:	A2B3C27D33 (1)
Weight, g/mol:	408.161997
ΔH_f, kcal/mol:	-21.32
Dipole, Da:	1.13
IP(EA), eV:	-8.43(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(6-benzylpyridin-2-yl)morpholin-4-yl]-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC2=NC(=CC=C2)C3CN(CCO3)CC4=CC=C(C=C4)N(C)CCO

DOS

IR

Vibrations