Geometry & MOs

Info

ID:	214149
PubChem CID:	81087040
Reduced:	ON3C7H17 (1)
Stoich.:	AB3C7D17 (1)
Weight, g/mol:	316.05865
ΔH_f, kcal/mol:	-62.01
Dipole, Da:	2.37
IP(EA), eV:	-9.35(1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(aminomethyl)-N-[(5-bromo-2-fluorophenyl)methyl]pentanamide

Drug info:

PubChemData

Smile

CC(CC(=O)NCCN)CN

DOS

IR

Vibrations