Geometry & MOs

Info

ID:	189731
PubChem CID:	77896478
Reduced:	ClN5O5C25H34 (1)
Stoich.:	AB5C5D25E34 (1)
Weight, g/mol:	340.226312
ΔH_f, kcal/mol:	-194.75
Dipole, Da:	1.1
IP(EA), eV:	-8.95(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,7-trimethyl-N-(2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCC(COC(=O)OCC)NC1=NC=C(C(=N1)C2CC(NC2)C(=O)NC(CO)C3=CC(=CC=C3)Cl)C

DOS

IR

Vibrations