Geometry & MOs

Info

ID:	370179
PubChem CID:	127337653
Reduced:	O2N3C17H31 (1)
Stoich.:	A2B3C17D31 (1)
Weight, g/mol:	373.203528
ΔH_f, kcal/mol:	-127.52
Dipole, Da:	4.05
IP(EA), eV:	-8.95(1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylcyclopentyl)-3-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]urea

Drug info:

PubChemData

Smile

CC1(CCCC1)NC(=O)NC2CCN(CC2)CC3CCOC3

DOS

IR

Vibrations