Geometry & MOs

Info

ID:	256031
PubChem CID:	103136534
Reduced:	N2C19H20 (1)
Stoich.:	A2B19C20 (1)
Weight, g/mol:	357.09396
ΔH_f, kcal/mol:	61.81
Dipole, Da:	4.42
IP(EA), eV:	-8.99(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-bromo-5-ethoxy-4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(C2=CC=CC3=C2C=NC=C3)NC

DOS

IR

Vibrations