Geometry & MOs

Info

ID:	351966
PubChem CID:	127282884
Reduced:	ON4C16H26 (1)
Stoich.:	AB4C16D26 (1)
Weight, g/mol:	375.172896
ΔH_f, kcal/mol:	-23.0
Dipole, Da:	3.69
IP(EA), eV:	-8.93(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1CN2CCC(CC2)NC(=O)N3CCC(CC3)C#N

DOS

IR

Vibrations