Geometry & MOs

Info

ID:	148861
PubChem CID:	53788530
Reduced:	SN4O5C22H22 (1)
Stoich.:	AB4C5D22E22 (1)
Weight, g/mol:	185.141579
ΔH_f, kcal/mol:	-75.33
Dipole, Da:	8.32
IP(EA), eV:	-9.13(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(methylamino)cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C(=O)C=CC2=CC(=C(C=C2)SC3=CC=CC=C3C(=O)N)[N+](=O)[O-]

DOS

IR

Vibrations