Geometry & MOs

Info

ID:	225672
PubChem CID:	87225345
Reduced:	F3O5N6C30H35 (1)
Stoich.:	A3B5C6D30E35 (1)
Weight, g/mol:	265.10413
ΔH_f, kcal/mol:	-306.35
Dipole, Da:	8.64
IP(EA), eV:	-8.8(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-1-(2-methylprop-2-enoxy)butane;N,N-dimethylmethanamine

Drug info:

PubChemData

Smile

CN1CCCC1C(=O)N2CCN(CC2)CC3=C4C(=CC=C3)C(=C(N4C)C(=O)O)C5=C(C=C(C(=C5N)OC)C(=O)N)C(F)(F)F

DOS

IR

Vibrations