Geometry & MOs

Info

ID:	365077
PubChem CID:	127316819
Reduced:	SO2N4C18H24 (1)
Stoich.:	AB2C4D18E24 (1)
Weight, g/mol:	281.12949
ΔH_f, kcal/mol:	-62.6
Dipole, Da:	3.79
IP(EA), eV:	-8.81(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-1-methylpyrrol-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)CN3C=NC4=C(C3=O)C(=C(S4)C)C

DOS

IR

Vibrations