Geometry & MOs

Info

ID:	426050
PubChem CID:	135135480
Reduced:	N3C13H21 (1)
Stoich.:	A3B13C21 (1)
Weight, g/mol:	384.123167
ΔH_f, kcal/mol:	3.56
Dipole, Da:	2.67
IP(EA), eV:	-8.52(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[[3-[[4-(trifluoromethyl)pyridin-2-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C)N(C)C2CCCNC2

DOS

IR

Vibrations