Geometry & MOs

Info

ID:	131337
PubChem CID:	51191650
Reduced:	NO2C9H9 (2)
Stoich.:	AB2C9D9 (2)
Weight, g/mol:	318.151433
ΔH_f, kcal/mol:	-109.18
Dipole, Da:	4.82
IP(EA), eV:	-8.88(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)NC(=O)C2CCCN2C(=O)C3=CC=CO3

DOS

IR

Vibrations