Geometry & MOs

Info

ID:	286742
PubChem CID:	104222232
Reduced:	N4C13H20 (1)
Stoich.:	A4B13C20 (1)
Weight, g/mol:	246.184447
ΔH_f, kcal/mol:	25.81
Dipole, Da:	1.69
IP(EA), eV:	-8.52(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrimidin-5-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

C1CCC2C(C1)CCN2C3=NC=C(C=N3)CN

DOS

IR

Vibrations