Geometry & MOs

Info

ID:	427868
PubChem CID:	135164720
Reduced:	BrClON2C22H28 (1)
Stoich.:	ABCD2E22F28 (1)
Weight, g/mol:	464.123
ΔH_f, kcal/mol:	-22.39
Dipole, Da:	4.96
IP(EA), eV:	-8.98(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-[(2-bromo-4-chlorophenyl)methoxy]-5-tert-butylphenyl]methyl]-1-pyrrolidin-3-ylmethanamine

Drug info:

PubChemData

Smile

CC(C)C1=CC(=CC(=C1)CNCC2CCNC2)OCC3=C(C=C(C=C3)Cl)Br

DOS

IR

Vibrations