Geometry & MOs

Info

ID:	196552
PubChem CID:	78846802
Reduced:	NO2C11H17 (2)
Stoich.:	AB2C11D17 (2)
Weight, g/mol:	367.146681
ΔH_f, kcal/mol:	-211.2
Dipole, Da:	1.2
IP(EA), eV:	-8.92(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylphenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)N1CCC(CC1)C2=CC=C(C=C2)O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations