Geometry & MOs

Info

ID:	34422
PubChem CID:	7971514
Reduced:	N3O6C20H25 (1)
Stoich.:	A3B6C20D25 (1)
Weight, g/mol:	258.04935
ΔH_f, kcal/mol:	-241.59
Dipole, Da:	8.73
IP(EA), eV:	-10.2(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(5-bromo-2-methoxyphenyl)methyl-propylazanium

Drug info:

PubChemData

Smile

CCCNC(=O)NC(=O)COC(=O)[C@H](CC(C)C)N1C(=O)C2=CC=CC=C2C1=O

DOS

IR

Vibrations