Geometry & MOs

Info

ID:	331898
PubChem CID:	127250184
Reduced:	NOC6H7 (4)
Stoich.:	ABC6D7 (4)
Weight, g/mol:	444.17731
ΔH_f, kcal/mol:	-75.67
Dipole, Da:	3.72
IP(EA), eV:	-8.24(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,5-dimethylpyrazol-4-yl)-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]pyridin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)C(=O)N2CCOC(C2)C3=NC=C(C=C3)CC4=C(C=CC(=C4)OC)OC

DOS

IR

Vibrations