Geometry & MOs

Info

ID:	167135
PubChem CID:	74785573
Reduced:	N3O5C21H29 (1)
Stoich.:	A3B5C21D29 (1)
Weight, g/mol:	378.239282
ΔH_f, kcal/mol:	-192.65
Dipole, Da:	2.06
IP(EA), eV:	-9.29(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide

Drug info:

PubChemData

Smile

COCC(=O)N1CCC(CC1)OC2=CC=C(C=C2)C(=O)NC3CCCCNC3=O

DOS

IR

Vibrations