Geometry & MOs

Info

ID:	88527
PubChem CID:	49955148
Reduced:	BrClNO2H18C19 (1)
Stoich.:	ABCD2E18F19 (1)
Weight, g/mol:	347.071794
ΔH_f, kcal/mol:	30.63
Dipole, Da:	4.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750163
Charge, e:	-1

Chem-info

IUPAC name:

N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine;chloride

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNCC2=CC=C(O2)C3=CC=C(C=C3)Br.[Cl-]

DOS

IR

Vibrations