Geometry & MOs

Info

ID:	202414
PubChem CID:	79670323
Reduced:	NO3H13C14 (1)
Stoich.:	AB3C13D14 (1)
Weight, g/mol:	309.17625
ΔH_f, kcal/mol:	-85.47
Dipole, Da:	6.7
IP(EA), eV:	-9.31(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-(propylamino)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]sulfanyl]propane-1,2-diol

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(C1=O)C2=CC=CC(=C2)C(=O)C)C

DOS

IR

Vibrations