Geometry & MOs

Info

ID:	204289
PubChem CID:	79942275
Reduced:	SN2O2C12H16 (1)
Stoich.:	AB2C2D12E16 (1)
Weight, g/mol:	302.13576
ΔH_f, kcal/mol:	-6.45
Dipole, Da:	6.21
IP(EA), eV:	-8.94(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(bromomethyl)-3-methylbutyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

Drug info:

PubChemData

Smile

CC1CC(CS1)NC2=C(C=CC(=C2)[N+](=O)[O-])C

DOS

IR

Vibrations