Geometry & MOs

Info

ID:	350805
PubChem CID:	127279093
Reduced:	OSN6C18H28 (1)
Stoich.:	ABC6D18E28 (1)
Weight, g/mol:	373.193632
ΔH_f, kcal/mol:	5.43
Dipole, Da:	5.03
IP(EA), eV:	-8.71(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)CN2CCN(CC2)C3=NN4C=C(N=C4S3)C

DOS

IR

Vibrations