Geometry & MOs

Info

ID:	262954
PubChem CID:	103331098
Reduced:	SN5C15H19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	289.124883
ΔH_f, kcal/mol:	79.59
Dipole, Da:	3.53
IP(EA), eV:	-8.48(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-4-[(6-methylcyclohex-3-en-1-yl)methoxy]thieno[2,3-d]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCCNC1=NC(=C2C=CSC2=N1)N3C=CC(=N3)C(C)C

DOS

IR

Vibrations