Geometry & MOs

Info

ID:	351934
PubChem CID:	127282852
Reduced:	O2N5C21H37 (1)
Stoich.:	A2B5C21D37 (1)
Weight, g/mol:	361.157246
ΔH_f, kcal/mol:	-97.53
Dipole, Da:	4.26
IP(EA), eV:	-8.96(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCN(CC2)C(=O)NC3CCN(CC3)C4CC4

DOS

IR

Vibrations