Geometry & MOs

Info

ID:	354318
PubChem CID:	127286444
Reduced:	O2N3C17H31 (1)
Stoich.:	A2B3C17D31 (1)
Weight, g/mol:	372.213696
ΔH_f, kcal/mol:	-128.76
Dipole, Da:	2.91
IP(EA), eV:	-8.72(1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-methyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]urea

Drug info:

PubChemData

Smile

CN1CCOC(C1)CNC(=O)NC2CCC3CCCCC3C2

DOS

IR

Vibrations