Geometry & MOs

Info

ID:	399400
PubChem CID:	135040105
Reduced:	NO4H13C15 (1)
Stoich.:	AB4C13D15 (1)
Weight, g/mol:	206.167065
ΔH_f, kcal/mol:	-74.06
Dipole, Da:	4.55
IP(EA), eV:	-9.23(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3aR,6aS)-4,5,6a-trimethyl-1,2,3,6-tetrahydropentalen-3a-yl]propanal

Drug info:

PubChemData

Smile

COC(=O)N(C1=CC=CC=C1)OC(=O)C2=CC=CC=C2

DOS

IR

Vibrations