Geometry & MOs

Info

ID:	323949
PubChem CID:	126676658
Reduced:	N3O3C27H49 (1)
Stoich.:	A3B3C27D49 (1)
Weight, g/mol:	491.297091
ΔH_f, kcal/mol:	-192.21
Dipole, Da:	2.51
IP(EA), eV:	-8.87(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-[[3-(trifluoromethoxy)cyclohexyl]methoxy]cyclohexyl]-2,3,4,4a,5,7,8,8a-octahydro-1H-pyrido[4,3-d]pyrimidin-6-yl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1CCC(CC1)COC2CCC(CC2)C3NCC4CN(CCC4N3)CCC(=O)O

DOS

IR

Vibrations