Geometry & MOs

Info

ID:	214185
PubChem CID:	81087281
Reduced:	BrN2O2C12H19 (1)
Stoich.:	AB2C2D12E19 (1)
Weight, g/mol:	278.199428
ΔH_f, kcal/mol:	-65.25
Dipole, Da:	2.26
IP(EA), eV:	-9.29(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(aminomethyl)-N-[(2-ethoxyphenyl)methyl]-N-methylpentanamide

Drug info:

PubChemData

Smile

CCC(CC(=O)N(C)CC1=CC=C(O1)Br)CN

DOS

IR

Vibrations