Geometry & MOs

Info

ID:	327625
PubChem CID:	126690550
Reduced:	OSN6C30H38 (1)
Stoich.:	ABC6D30E38 (1)
Weight, g/mol:	475.276967
ΔH_f, kcal/mol:	63.75
Dipole, Da:	6.7
IP(EA), eV:	-8.39(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-(4-aminophenyl)ethyl]-N-[(1R)-4-(4-ethylpiperidin-1-yl)-6-methylcyclohex-3-en-1-yl]thieno[3,2-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=CCC(C=C2)NC3=NC=NC4=C3SC=C4/C=C/C5=CCC[C@H](C5)C(=O)NC6CC6

DOS

IR

Vibrations