Geometry & MOs

Info

ID:	290188
PubChem CID:	104417824
Reduced:	BrN2O3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	252.147393
ΔH_f, kcal/mol:	-95.61
Dipole, Da:	3.99
IP(EA), eV:	-8.94(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-3-[(2-hydroxy-4-methoxyphenyl)methylamino]propanamide

Drug info:

PubChemData

Smile

CCNC(=O)CCNCC1=CC2=C(C=C1Br)OCO2

DOS

IR

Vibrations