Geometry & MOs

Info

ID:	232478
PubChem CID:	87576275
Reduced:	N4O5C30H30 (1)
Stoich.:	A4B5C30D30 (1)
Weight, g/mol:	171.956823
ΔH_f, kcal/mol:	-153.68
Dipole, Da:	6.71
IP(EA), eV:	-8.57(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

acetyloxy-(dichloromethyl)-oxoazanium

Drug info:

PubChemData

Smile

CCOC(=O)CCC1=C(NC2=C1C(=O)CCC2)/C=C/3\C4=C(C=CC(=C4)NC(=O)NC5=CC=C(C=C5)C)NC3=O

DOS

IR

Vibrations