Geometry & MOs

Info

ID:	302165
PubChem CID:	124350122
Reduced:	O2N4C23H36 (1)
Stoich.:	A2B4C23D36 (1)
Weight, g/mol:	256.157563
ΔH_f, kcal/mol:	-110.64
Dipole, Da:	3.37
IP(EA), eV:	-8.67(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R)-8-(propylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-1-carbaldehyde

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@H](O1)C)C2=NC=C3[C@@H](CC(CC3=N2)(C)C)NC(=O)C4CCCCC4

DOS

IR

Vibrations