Geometry & MOs

Info

ID:	374509
PubChem CID:	131330630
Reduced:	N2O3H6C7 (1)
Stoich.:	A2B3C6D7 (1)
Weight, g/mol:	304.99128
ΔH_f, kcal/mol:	-36.82
Dipole, Da:	1.5
IP(EA), eV:	-11.12(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S)-4-amino-6-iodo-2,3-dihydrochromen-4-yl]methanol

Drug info:

PubChemData

Smile

CC1=NOC(=C1CC#N)C(=O)O

DOS

IR

Vibrations