Geometry & MOs

Info

ID:	355867
PubChem CID:	127290719
Reduced:	NOC5H9 (3)
Stoich.:	ABC5D9 (3)
Weight, g/mol:	385.272927
ΔH_f, kcal/mol:	-134.3
Dipole, Da:	2.79
IP(EA), eV:	-8.93(0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(2-methylphenyl)oxan-4-yl]methyl]-3-[1-(2-methylprop-2-enyl)piperidin-4-yl]urea

Drug info:

PubChemData

Smile

CC(=C)CN1CCC(CC1)NC(=O)NCC2COCCO2

DOS

IR

Vibrations