Geometry & MOs

Info

ID:	130883
PubChem CID:	51120448
Reduced:	ClN2O5H15C19 (1)
Stoich.:	AB2C5D15E19 (1)
Weight, g/mol:	317.210327
ΔH_f, kcal/mol:	-53.7
Dipole, Da:	3.48
IP(EA), eV:	-9.32(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(N-ethyl-3,5-dimethylanilino)-N-(2-oxoazepan-3-yl)acetamide

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1O)C(=O)C2=CC=C(O2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

DOS

IR

Vibrations