Geometry & MOs

Info

ID:	333741
PubChem CID:	127252293
Reduced:	O2N6C23H30 (1)
Stoich.:	A2B6C23D30 (1)
Weight, g/mol:	416.14601
ΔH_f, kcal/mol:	-39.52
Dipole, Da:	6.04
IP(EA), eV:	-9.55(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1H-pyrazol-5-yl-[2-[6-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=C2CCC(=O)N(C2=NC(=N1)C3CCN(C3)C(=O)C4=CC=NN4)CC5CCCCC5

DOS

IR

Vibrations