Geometry & MOs

Info

ID:	417438
PubChem CID:	135094046
Reduced:	N2O3C21H24 (1)
Stoich.:	A2B3C21D24 (1)
Weight, g/mol:	346.146347
ΔH_f, kcal/mol:	-34.26
Dipole, Da:	0.77
IP(EA), eV:	-8.51(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-acetamidophenyl)methyl]-2-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC=C(O2)CN3C[C@H]([C@@H](C3)O)CC4=CC(=NO4)C

DOS

IR

Vibrations