Geometry & MOs

Info

ID:	150490
PubChem CID:	53790182
Reduced:	N3O6C16H17 (1)
Stoich.:	A3B6C16D17 (1)
Weight, g/mol:	549.245056
ΔH_f, kcal/mol:	-129.59
Dipole, Da:	3.63
IP(EA), eV:	-8.67(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[[4-(diethylcarbamoyl)cyclohexyl]-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]methyl]benzoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=C(O2)[N+](=O)[O-]

DOS

IR

Vibrations