Geometry & MOs

Info

ID:	351918
PubChem CID:	127282836
Reduced:	O2N5C19H35 (1)
Stoich.:	A2B5C19D35 (1)
Weight, g/mol:	377.188546
ΔH_f, kcal/mol:	-97.24
Dipole, Da:	5.15
IP(EA), eV:	-8.77(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)-1-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]urea

Drug info:

PubChemData

Smile

CC(C)N1CCC(CC1)NC(=O)N2CCN(CC2)C(C)C(=O)NC3CC3

DOS

IR

Vibrations