Geometry & MOs

Info

ID:	365036
PubChem CID:	127316686
Reduced:	ON3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	398.177647
ΔH_f, kcal/mol:	-41.77
Dipole, Da:	5.65
IP(EA), eV:	-8.4(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(1H-indole-3-carbonyl)-1,3-thiazolidin-4-yl]-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)C3=C(N(C(=C3)C)C)C

DOS

IR

Vibrations