Geometry & MOs

Info

ID:	311537
PubChem CID:	126593611
Reduced:	BrFISO3N4H15C17 (1)
Stoich.:	ABCDE3F4G15H17 (1)
Weight, g/mol:	296.319149
ΔH_f, kcal/mol:	-71.24
Dipole, Da:	10.28
IP(EA), eV:	-9.19(-2.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-dodecan-5-yl-1-methylazepan-4-amine

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)/C(=N/I)/NC2=CC(=C(C=C2)F)Br)C3=NC=C(S3)C(=O)O

DOS

IR

Vibrations