Geometry & MOs

Info

ID:	145999
PubChem CID:	53623272
Reduced:	N3O3C17H27 (1)
Stoich.:	A3B3C17D27 (1)
Weight, g/mol:	346.200491
ΔH_f, kcal/mol:	-94.9
Dipole, Da:	3.98
IP(EA), eV:	-8.26(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-hydroxycycloheptyl)methyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)NC(=O)NCCN(C)C2CC2)OCC

DOS

IR

Vibrations