Geometry & MOs

Info

ID:	34412
PubChem CID:	7964547
Reduced:	O2N3C20H31 (1)
Stoich.:	A2B3C20D31 (1)
Weight, g/mol:	325.106256
ΔH_f, kcal/mol:	-95.53
Dipole, Da:	4.52
IP(EA), eV:	-8.59(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyanophenoxy)-N-(4,5-dimethyl-2-nitrophenyl)acetamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(=O)CCNC(=O)C2=CC=C(C=C2)C(C)(C)C

DOS

IR

Vibrations