Geometry & MOs

Info

ID:	287896
PubChem CID:	104297870
Reduced:	BrO2N3C15H20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	270.03678
ΔH_f, kcal/mol:	-69.41
Dipole, Da:	0.83
IP(EA), eV:	-9.24(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-aminoethyl)-4-bromo-N,3-dimethylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N(CC(=O)N)C2CCNCC2)Br

DOS

IR

Vibrations