Geometry & MOs

Info

ID:	187637
PubChem CID:	77602012
Reduced:	O7C22H30 (1)
Stoich.:	A7B22C30 (1)
Weight, g/mol:	406.283158
ΔH_f, kcal/mol:	-325.86
Dipole, Da:	7.87
IP(EA), eV:	-10.09(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[(4,4-dimethylcyclohexyl)-(3-hydroxy-2,2-dimethylbutanoyl)amino]-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2(C(=O)O)OC(=O)OC)CCC4=CC(=O)CC(C34C)O

DOS

IR

Vibrations