Geometry & MOs

Info

ID:	130895
PubChem CID:	51123563
Reduced:	NO4C16H23 (1)
Stoich.:	AB4C16D23 (1)
Weight, g/mol:	342.05791
ΔH_f, kcal/mol:	-185.83
Dipole, Da:	4.21
IP(EA), eV:	-9.18(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(4-bromo-1H-pyrrole-2-carbonyl)amino]cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1(CCCCC1)NC(=O)C2=C(OC(=C2)C)C

DOS

IR

Vibrations