Geometry & MOs

Info

ID:	138193
PubChem CID:	52326978
Reduced:	N4O5C17H20 (1)
Stoich.:	A4B5C17D20 (1)
Weight, g/mol:	388.211055
ΔH_f, kcal/mol:	-68.21
Dipole, Da:	3.76
IP(EA), eV:	-9.8(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-ethyl-4-methyl-5-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]carbamoyl]-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=CC=C1)[N+](=O)[O-])N(C)C(=O)C2=NN(C(=O)C=C2)CCOC

DOS

IR

Vibrations