Geometry & MOs

Info

ID:	374510
PubChem CID:	131330701
Reduced:	INO2C10H12 (1)
Stoich.:	ABC2D10E12 (1)
Weight, g/mol:	223.120843
ΔH_f, kcal/mol:	-51.52
Dipole, Da:	2.95
IP(EA), eV:	-8.94(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4S)-4-amino-4-(hydroxymethyl)-2,3-dihydrochromen-6-yl]ethanol

Drug info:

PubChemData

Smile

C1COC2=C([C@@]1(CO)N)C=C(C=C2)I

DOS

IR

Vibrations