Geometry & MOs

Info

ID:	434029
PubChem CID:	135174182
Reduced:	BrClO2N3C24H27 (1)
Stoich.:	ABC2D3E24F27 (1)
Weight, g/mol:	352.251464
ΔH_f, kcal/mol:	-1.1
Dipole, Da:	5.97
IP(EA), eV:	-9.05(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(4-tert-butylphenyl)methoxy]phenyl]methyl]-1-pyrrolidin-3-ylmethanamine

Drug info:

PubChemData

Smile

C=CCOC1=CC(=CC(=C1)/C=C/C2=C(C=C(C=C2)Cl)Br)CNCC(=O)NCC3CNC3

DOS

IR

Vibrations