Geometry & MOs

Info

ID:	368977
PubChem CID:	127331081
Reduced:	O3N4C12H20 (1)
Stoich.:	A3B4C12D20 (1)
Weight, g/mol:	312.241293
ΔH_f, kcal/mol:	-95.16
Dipole, Da:	3.06
IP(EA), eV:	-9.07(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-cyclohexyloxyethyl)-3-[(1-hydroxycycloheptyl)methyl]urea

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CCNC(=O)NCC2COCCO2

DOS

IR

Vibrations