Geometry & MOs

Info

ID:	126285
PubChem CID:	50958517
Reduced:	ON4C16H28 (1)
Stoich.:	AB4C16D28 (1)
Weight, g/mol:	309.129969
ΔH_f, kcal/mol:	-37.15
Dipole, Da:	4.44
IP(EA), eV:	-8.57(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(1-pyrrolidin-1-ylethyl)phenyl]thieno[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)N(C)CC(C)N2CCOCC2)C(C)C

DOS

IR

Vibrations