Geometry & MOs

Info

ID:	246435
PubChem CID:	103059653
Reduced:	SN3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	296.246378
ΔH_f, kcal/mol:	47.3
Dipole, Da:	2.69
IP(EA), eV:	-8.43(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-N-propyloxan-4-amine

Drug info:

PubChemData

Smile

CCCNC1=NC=C(N=C1)CSC2=CC=C(C=C2)C

DOS

IR

Vibrations