Geometry & MOs

Info

ID:	208549
PubChem CID:	80542890
Reduced:	O2N3C11H21 (1)
Stoich.:	A2B3C11D21 (1)
Weight, g/mol:	263.14339
ΔH_f, kcal/mol:	-112.93
Dipole, Da:	1.56
IP(EA), eV:	-9.46(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N,2-dimethylbutanamide

Drug info:

PubChemData

Smile

CC(CCN)C(=O)N1CCCCC1C(=O)N

DOS

IR

Vibrations