Geometry & MOs

Info

ID:	154100
PubChem CID:	56313488
Reduced:	N2F4O4C25H30 (1)
Stoich.:	A2B4C4D25E30 (1)
Weight, g/mol:	424.208611
ΔH_f, kcal/mol:	-333.99
Dipole, Da:	3.77
IP(EA), eV:	-8.75(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CN2CCC(CC2)NC(=O)CCC3=CC(=C(C=C3)OCC(F)(F)F)OC)F

DOS

IR

Vibrations