Geometry & MOs

Info

ID:	190454
PubChem CID:	78008055
Reduced:	INSO2H14C15 (1)
Stoich.:	ABCD2E14F15 (1)
Weight, g/mol:	312.136159
ΔH_f, kcal/mol:	-9.8
Dipole, Da:	3.61
IP(EA), eV:	-8.82(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[7-[(4-methylphenyl)methoxy]-3,4-dihydro-2H-chromen-4-yl]acetic acid

Drug info:

PubChemData

Smile

C1CN(CC2=C1SC=C2)C(C3=CC=CC=C3I)C(=O)O

DOS

IR

Vibrations