Geometry & MOs

Info

ID:	146106
PubChem CID:	53636118
Reduced:	NO4C16H23 (1)
Stoich.:	AB4C16D23 (1)
Weight, g/mol:	405.102624
ΔH_f, kcal/mol:	-181.05
Dipole, Da:	2.89
IP(EA), eV:	-8.86(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[4-chloro-3-cyano-5-(hydroxymethyl)thiophen-2-yl]diazenyl]-5-(diethylamino)phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC)CC(=O)N[C@@H](C(C)C)C(=O)OC

DOS

IR

Vibrations