Geometry & MOs

Info

ID:	148653
PubChem CID:	53788321
Reduced:	N4O4H14C17 (1)
Stoich.:	A4B4C14D17 (1)
Weight, g/mol:	405.166411
ΔH_f, kcal/mol:	-23.13
Dipole, Da:	3.7
IP(EA), eV:	-9.58(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[(3S)-1-benzylpyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=NC(=NO2)C3=CC=C(C=C3)OCC(=O)O)C(=N)N

DOS

IR

Vibrations