Geometry & MOs

Info

ID:	286741
PubChem CID:	104222221
Reduced:	ON4C14H24 (1)
Stoich.:	AB4C14D24 (1)
Weight, g/mol:	232.168797
ΔH_f, kcal/mol:	-18.12
Dipole, Da:	3.6
IP(EA), eV:	-8.76(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNCC1=CN=C(N=C1)N(C)C2CCOC2C

DOS

IR

Vibrations