Geometry & MOs

Info

ID:	61455
PubChem CID:	26709587
Reduced:	O3N5C26H31 (1)
Stoich.:	A3B5C26D31 (1)
Weight, g/mol:	405.187484
ΔH_f, kcal/mol:	6.51
Dipole, Da:	10.51
IP(EA), eV:	-8.86(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-phenyl-1,3-thiazol-4-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)CN4CCCCC4)C)[N+](=O)[O-]

DOS

IR

Vibrations