Geometry & MOs

Info

ID:	154090
PubChem CID:	56313477
Reduced:	FN2O3H19C21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	414.15149
ΔH_f, kcal/mol:	-68.28
Dipole, Da:	2.95
IP(EA), eV:	-9.1(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C(C)NC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F

DOS

IR

Vibrations