Geometry & MOs

Info

ID:	365005
PubChem CID:	127316655
Reduced:	ClON5C18H22 (1)
Stoich.:	ABC5D18E22 (1)
Weight, g/mol:	385.200156
ΔH_f, kcal/mol:	28.3
Dipole, Da:	3.53
IP(EA), eV:	-8.57(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(1,3-benzodioxole-5-carbonyl)pyrrolidin-2-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(N=N3)C4=CC=CC=C4Cl)C

DOS

IR

Vibrations