Geometry & MOs

Info

ID:	134479
PubChem CID:	51703538
Reduced:	SN4O4H20C21 (1)
Stoich.:	AB4C4D20E21 (1)
Weight, g/mol:	432.200885
ΔH_f, kcal/mol:	-72.68
Dipole, Da:	6.47
IP(EA), eV:	-8.24(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(2R)-2-[(4,7-dimethoxy-1H-indole-2-carbonyl)amino]propanoyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=NC2=CC=CC=C2S1)NC(=O)C3=CC4=C(C=CC(=C4N3)OC)OC

DOS

IR

Vibrations