Geometry & MOs

Info

ID:	364141
PubChem CID:	127314317
Reduced:	O2N5C18H27 (1)
Stoich.:	A2B5C18D27 (1)
Weight, g/mol:	311.220892
ΔH_f, kcal/mol:	-78.37
Dipole, Da:	6.04
IP(EA), eV:	-9.58(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-methylbutanoyl)piperidin-4-yl]-3-[(3-methyloxetan-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CCC(CC1)NC(=O)N2CCC3=CN=CN=C3C2

DOS

IR

Vibrations