Geometry & MOs

Info

ID:	370178
PubChem CID:	127337636
Reduced:	OSN6C17H24 (1)
Stoich.:	ABC6D17E24 (1)
Weight, g/mol:	309.241627
ΔH_f, kcal/mol:	24.65
Dipole, Da:	5.52
IP(EA), eV:	-8.65(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylcyclopentyl)-3-[1-(oxolan-3-ylmethyl)piperidin-4-yl]urea

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C(C)NC(=O)N(C)C2CCCN(C2)C3=NN=CC=C3

DOS

IR

Vibrations