Geometry & MOs

Info

ID:	202292
PubChem CID:	79652288
Reduced:	BrO2N3C12H18 (1)
Stoich.:	AB2C3D12E18 (1)
Weight, g/mol:	267.194677
ΔH_f, kcal/mol:	11.51
Dipole, Da:	3.89
IP(EA), eV:	-8.89(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(furan-2-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CC(C)(CN)CN(C)C1=C(C=C(C=C1)Br)[N+](=O)[O-]

DOS

IR

Vibrations