Geometry & MOs

Info

ID:	55625
PubChem CID:	17395689
Reduced:	N2O5C16H22 (1)
Stoich.:	A2B5C16D22 (1)
Weight, g/mol:	350.184172
ΔH_f, kcal/mol:	-221.26
Dipole, Da:	4.42
IP(EA), eV:	-9.55(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-O-[1-(cyclohexylamino)-1-oxopropan-2-yl] 4-O-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(=O)OC)C)C(=O)OC(C)C(=O)N2CCCC2

DOS

IR

Vibrations