Geometry & MOs

Info

ID:	190487
PubChem CID:	78011413
Reduced:	ON4C15H24 (1)
Stoich.:	AB4C15D24 (1)
Weight, g/mol:	448.128881
ΔH_f, kcal/mol:	-0.31
Dipole, Da:	2.92
IP(EA), eV:	-8.29(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[8-chloro-7-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromen-5-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-one

Drug info:

PubChemData

Smile

CC(C)NC1CC(NN1)C(=O)CN(C)C2=CC=CC=C2

DOS

IR

Vibrations