Geometry & MOs

Info

ID:	146000
PubChem CID:	53623670
Reduced:	O3N4C18H26 (1)
Stoich.:	A3B4C18D26 (1)
Weight, g/mol:	340.11471
ΔH_f, kcal/mol:	-132.98
Dipole, Da:	2.93
IP(EA), eV:	-8.57(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]morpholine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)(CNC(=O)NC2=CC(=CC=C2)N3CCNC3=O)O

DOS

IR

Vibrations