Geometry & MOs

Info

ID:	365051
PubChem CID:	127316732
Reduced:	BrON4C18H21 (1)
Stoich.:	ABC4D18E21 (1)
Weight, g/mol:	273.184112
ΔH_f, kcal/mol:	26.27
Dipole, Da:	4.27
IP(EA), eV:	-8.88(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-dimethylpyridin-3-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(C(=NN3)C4=CC=CC=C4)Br

DOS

IR

Vibrations