Geometry & MOs

Info

ID:	365899
PubChem CID:	127319163
Reduced:	O2N3C21H27 (1)
Stoich.:	A2B3C21D27 (1)
Weight, g/mol:	321.205242
ΔH_f, kcal/mol:	-87.02
Dipole, Da:	7.65
IP(EA), eV:	-9.0(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]urea

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1)CNC(=O)NC2(CCCCC2)C3=CC=CC=C3)C

DOS

IR

Vibrations