Geometry & MOs

Info

ID:	200537
PubChem CID:	79407612
Reduced:	NOC6H12 (2)
Stoich.:	ABC6D12 (2)
Weight, g/mol:	304.139862
ΔH_f, kcal/mol:	-107.68
Dipole, Da:	4.6
IP(EA), eV:	-8.74(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CCN(C1CCNCC1)C(C)C(C)C(=O)O

DOS

IR

Vibrations