Geometry & MOs

Info

ID:	267293
PubChem CID:	103581670
Reduced:	BrClN2O2C17H24 (1)
Stoich.:	ABC2D2E17F24 (1)
Weight, g/mol:	316.03419
ΔH_f, kcal/mol:	-104.68
Dipole, Da:	2.85
IP(EA), eV:	-9.43(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromo-3-chlorophenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)NCC2=CC(=C(C=C2)Br)Cl

DOS

IR

Vibrations