Geometry & MOs

Info

ID:	214150
PubChem CID:	81087051
Reduced:	BrFON2C13H18 (1)
Stoich.:	ABCD2E13F18 (1)
Weight, g/mol:	324.08373
ΔH_f, kcal/mol:	-84.21
Dipole, Da:	2.8
IP(EA), eV:	-9.42(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylbutanamide

Drug info:

PubChemData

Smile

CCC(CC(=O)NCC1=C(C=CC(=C1)Br)F)CN

DOS

IR

Vibrations