Geometry & MOs

Info

ID:	193799
PubChem CID:	78439977
Reduced:	N2O5C13H13 (1)
Stoich.:	A2B5C13D13 (1)
Weight, g/mol:	375.001463
ΔH_f, kcal/mol:	-82.27
Dipole, Da:	21.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.762549
Charge, e:	1

Chem-info

IUPAC name:

3-methoxypropyl-[2,2,2-trichloro-1-[(4-chlorobenzoyl)amino]ethyl]azanium

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(=O)NNC(=O)C=CC(=O)[O-]

DOS

IR

Vibrations