Geometry & MOs

Info

ID:	333755
PubChem CID:	127252307
Reduced:	SN4O4C22H26 (1)
Stoich.:	AB4C4D22E26 (1)
Weight, g/mol:	430.16166
ΔH_f, kcal/mol:	-85.11
Dipole, Da:	6.87
IP(EA), eV:	-9.29(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylimidazol-2-yl)-[2-[6-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CC(=O)N2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)NCCOC

DOS

IR

Vibrations