Geometry & MOs

Info

ID:	247498
PubChem CID:	103071928
Reduced:	ON2C17H24 (1)
Stoich.:	AB2C17D24 (1)
Weight, g/mol:	221.062283
ΔH_f, kcal/mol:	-30.21
Dipole, Da:	3.97
IP(EA), eV:	-8.76(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(aminomethyl)prop-2-enyl]thieno[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)NCC(=C)CN1C(=O)CCCC2=CC=CC=C21

DOS

IR

Vibrations