Geometry & MOs

Info

ID:	331797
PubChem CID:	127250081
Reduced:	O2N5C25H31 (1)
Stoich.:	A2B5C25D31 (1)
Weight, g/mol:	444.17731
ΔH_f, kcal/mol:	-5.06
Dipole, Da:	5.32
IP(EA), eV:	-8.96(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-ethylpyrazol-3-yl)-[2-[6-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC2=NC(=CC=C2)C3CN(CCO3)CC(=O)NC4=CC=NN4C(C)C

DOS

IR

Vibrations