Geometry & MOs

Info

ID:	369349
PubChem CID:	127332377
Reduced:	SN3O3C20H31 (1)
Stoich.:	AB3C3D20E31 (1)
Weight, g/mol:	311.220892
ΔH_f, kcal/mol:	-121.66
Dipole, Da:	3.45
IP(EA), eV:	-8.71(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-cycloheptyloxyethyl)-3-(2-oxoazepan-3-yl)urea

Drug info:

PubChemData

Smile

CC1C(SCCN1C(=O)NCC2=CC(=CC=C2)OCCN3CCOCC3)C

DOS

IR

Vibrations