Geometry & MOs

Info

ID:	150820
PubChem CID:	53790516
Reduced:	IOC27H45 (1)
Stoich.:	ABC27D45 (1)
Weight, g/mol:	333.157623
ΔH_f, kcal/mol:	-105.89
Dipole, Da:	4.34
IP(EA), eV:	-9.14(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1,2-dihydroxy-3-(2-hydroxyethylamino)propyl]-7,8,9,10-tetrahydrobenzo[c]chromen-6-one

Drug info:

PubChemData

Smile

C[C@H](CCCC(C)CI)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(C4)O)C)C

DOS

IR

Vibrations