Geometry & MOs

Info

ID:	186228
PubChem CID:	77405579
Reduced:	NO3C21H31 (1)
Stoich.:	AB3C21D31 (1)
Weight, g/mol:	294.18559
ΔH_f, kcal/mol:	-149.4
Dipole, Da:	6.01
IP(EA), eV:	-9.09(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-(1-aminoethenyl)-3-(5-amino-2-fluorophenyl)-N,2,2-trimethylbutanamide

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC24OCCO4)CCC5C3(C=CC(=O)N5C)C

DOS

IR

Vibrations