Geometry & MOs

Info

ID:	262884
PubChem CID:	103326467
Reduced:	SN4C16H26 (1)
Stoich.:	AB4C16D26 (1)
Weight, g/mol:	290.120132
ΔH_f, kcal/mol:	16.94
Dipole, Da:	4.6
IP(EA), eV:	-8.15(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)thieno[2,3-d]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCCNC1=NC(=C2C=CSC2=N1)N(C)C(C)CC(C)C

DOS

IR

Vibrations