Geometry & MOs

Info

ID:	164645
PubChem CID:	74430726
Reduced:	SN5C16H17 (1)
Stoich.:	AB5C16D17 (1)
Weight, g/mol:	368.178316
ΔH_f, kcal/mol:	110.8
Dipole, Da:	3.59
IP(EA), eV:	-8.8(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-N-[[6-[(dimethylamino)methyl]pyridin-2-yl]methylideneamino]thieno[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2=C(N=CN=C2S1)NN=CC3=CC=CC=N3

DOS

IR

Vibrations