Geometry & MOs

Info

ID:	375092
PubChem CID:	131465919
Reduced:	OSN3C10H13 (1)
Stoich.:	ABC3D10E13 (1)
Weight, g/mol:	207.125929
ΔH_f, kcal/mol:	13.89
Dipole, Da:	5.78
IP(EA), eV:	-7.96(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-methoxy-3,4-dihydro-2H-chromen-4-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=C(SC(=C2C=CC=N2)N1)C(CN)O

DOS

IR

Vibrations