Geometry & MOs

Info

ID:	189040
PubChem CID:	77807491
Reduced:	ON5C24H39 (1)
Stoich.:	AB5C24D39 (1)
Weight, g/mol:	447.209282
ΔH_f, kcal/mol:	-48.46
Dipole, Da:	4.58
IP(EA), eV:	-8.33(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(7,8-dimethylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-4,5-dihydro-1,3-thiazol-4-yl)methanone

Drug info:

PubChemData

Smile

CCC1CC2CCC(CC2NC1=O)C(C(C)C)N3CCN(CC3)C4=NC=C(C=C4)N

DOS

IR

Vibrations