Geometry & MOs

Info

ID:	186433
PubChem CID:	77432102
Reduced:	F2O2N5C23H25 (1)
Stoich.:	A2B2C5D23E25 (1)
Weight, g/mol:	283.05718
ΔH_f, kcal/mol:	-101.27
Dipole, Da:	7.85
IP(EA), eV:	-9.17(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-(bromomethyl)phenyl]methoxy]pent-4-en-2-amine

Drug info:

PubChemData

Smile

CC(CC(C)(CNC1=NC=C(C=N1)C2=C(C(=CC=C2)C(=O)NC)O)C3=C(C=CC=N3)F)F

DOS

IR

Vibrations