Geometry & MOs

Info

ID:	365446
PubChem CID:	127317845
Reduced:	ON5C22H31 (1)
Stoich.:	AB5C22D31 (1)
Weight, g/mol:	294.230728
ΔH_f, kcal/mol:	-1.84
Dipole, Da:	4.14
IP(EA), eV:	-8.58(-0.11)
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-[(3-methyloxolan-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)NCC3=C(N(N=C3C)CC4=CC=CC=C4)C

DOS

IR

Vibrations