Geometry & MOs

Info

ID:	353321
PubChem CID:	127284650
Reduced:	SN2O3C15H22 (1)
Stoich.:	AB2C3D15E22 (1)
Weight, g/mol:	375.172896
ΔH_f, kcal/mol:	-109.69
Dipole, Da:	3.46
IP(EA), eV:	-8.91(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-methylmorpholin-4-yl)ethyl]-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1COCCN1CCNC(=O)C2=CC3=C(S2)CCOC3

DOS

IR

Vibrations