Geometry & MOs

Info

ID:	265683
PubChem CID:	103538571
Reduced:	N3O3C15H23 (1)
Stoich.:	A3B3C15D23 (1)
Weight, g/mol:	264.104482
ΔH_f, kcal/mol:	-45.28
Dipole, Da:	7.57
IP(EA), eV:	-8.65(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-methoxypyrrolidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCNC1=C(C=C(C=C1)CN2CCC(C2)OC)[N+](=O)[O-]

DOS

IR

Vibrations