Geometry & MOs

Info

ID:	202887
PubChem CID:	79739502
Reduced:	NOC12H19 (1)
Stoich.:	ABC12D19 (1)
Weight, g/mol:	302.043
ΔH_f, kcal/mol:	-54.64
Dipole, Da:	4.38
IP(EA), eV:	-9.56(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-2-fluorophenyl)-(4-methylmorpholin-2-yl)methanamine

Drug info:

PubChemData

Smile

CCCC(CC1=NC=C(C=C1)CC)O

DOS

IR

Vibrations