Geometry & MOs

Info

ID:	198620
PubChem CID:	79126245
Reduced:	NOC18H35 (1)
Stoich.:	ABC18D35 (1)
Weight, g/mol:	316.081639
ΔH_f, kcal/mol:	-110.07
Dipole, Da:	2.1
IP(EA), eV:	-9.34(3.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-aminophenyl)sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC1CCC(C1)(C2(CCC(CC2)C(C)(C)C)CN)O

DOS

IR

Vibrations