Geometry & MOs

Info

ID:	228337
PubChem CID:	87564003
Reduced:	BrN2O2H19C20 (1)
Stoich.:	AB2C2D19E20 (1)
Weight, g/mol:	216.147393
ΔH_f, kcal/mol:	-40.66
Dipole, Da:	1.95
IP(EA), eV:	-9.1(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-(3-amino-3-oxopropyl)heptanoic acid

Drug info:

PubChemData

Smile

C/C(=C/1\C(=O)NC(C(=O)N1)(C)CC2=CC=CC=C2)/C3=CC=CC=C3Br

DOS

IR

Vibrations