Geometry & MOs

Info

ID:	154169
PubChem CID:	56313572
Reduced:	S2N3O3C24H27 (1)
Stoich.:	A2B3C3D24E27 (1)
Weight, g/mol:	410.192961
ΔH_f, kcal/mol:	-54.1
Dipole, Da:	6.53
IP(EA), eV:	-8.23(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(SC=C2)C(=O)NCC3=CC=CC=C3CN4CCCC4

DOS

IR

Vibrations