Geometry & MOs

Info

ID:	367115
PubChem CID:	127323331
Reduced:	O3N4C17H32 (1)
Stoich.:	A3B4C17D32 (1)
Weight, g/mol:	321.241627
ΔH_f, kcal/mol:	-163.19
Dipole, Da:	1.7
IP(EA), eV:	-8.69(0.64)
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-oxo-1-propan-2-ylpyrrolidin-3-yl)urea

Drug info:

PubChemData

Smile

CC(C)CN1CCOC(C1)CNC(=O)NC2CCN(C2=O)C(C)C

DOS

IR

Vibrations