Geometry & MOs

Info

ID:	270081
PubChem CID:	103626300
Reduced:	F2N2O2C15H22 (1)
Stoich.:	A2B2C2D15E22 (1)
Weight, g/mol:	336.08373
ΔH_f, kcal/mol:	-167.69
Dipole, Da:	6.38
IP(EA), eV:	-8.81(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromo-2-prop-2-ynoxyphenyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine

Drug info:

PubChemData

Smile

CN1CCCC1CNCC2=CC(=C(C=C2)OC)OC(F)F

DOS

IR

Vibrations