Geometry & MOs

Info

ID:	367181
PubChem CID:	127323947
Reduced:	O2N5C21H31 (1)
Stoich.:	A2B5C21D31 (1)
Weight, g/mol:	290.210661
ΔH_f, kcal/mol:	-83.44
Dipole, Da:	6.57
IP(EA), eV:	-9.22(-0.67)
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-pyrazol-1-ylethyl)urea

Drug info:

PubChemData

Smile

C1CCC2CC(CCC2C1)NC(=O)N3CCN(CC3)C4=C(C=CC=N4)C(=O)N

DOS

IR

Vibrations