Geometry & MOs

Info

ID:	313379
PubChem CID:	126614171
Reduced:	N2H36C49 (1)
Stoich.:	A2B36C49 (1)
Weight, g/mol:	344.134777
ΔH_f, kcal/mol:	200.42
Dipole, Da:	2.84
IP(EA), eV:	-7.75(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC1CC=CC=C1C2=CC(=CC(=C2)C3=CC=CC=C3)N4C5=C(C6=CC=CC=C64)C7=C(C=C5)N(C8=CC=CC=C87)C9=CC=C(C=C9)C1=CC=CC=C1

DOS

IR

Vibrations