Geometry & MOs

Info

ID:	174287
PubChem CID:	75748642
Reduced:	N3O4C21H25 (1)
Stoich.:	A3B4C21D25 (1)
Weight, g/mol:	403.178846
ΔH_f, kcal/mol:	-117.03
Dipole, Da:	8.44
IP(EA), eV:	-8.46(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-(2-chlorophenyl)-2-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=O)C=C(C)NNC(=O)C2=C(C=C(C=C2)OC)OC)C

DOS

IR

Vibrations