Geometry & MOs

Info

ID:	427600
PubChem CID:	135160415
Reduced:	OSN4C20H30 (1)
Stoich.:	ABC4D20E30 (1)
Weight, g/mol:	369.198717
ΔH_f, kcal/mol:	-33.04
Dipole, Da:	3.48
IP(EA), eV:	-8.76(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-cyclohexyl-2-methylthieno[2,3-d]pyrimidin-4-yl)methyl]-4-methanimidoyl-3,6-dihydro-2H-pyridin-5-amine

Drug info:

PubChemData

Smile

CC1=NC(=C2C(=N1)SC(=N2)C3CCC(CC3)(C)C)CN4CCC[C@@H](C4)O

DOS

IR

Vibrations