Geometry & MOs

Info

ID:	434081
PubChem CID:	135174238
Reduced:	ClON2C22H29 (1)
Stoich.:	ABC2D22E29 (1)
Weight, g/mol:	502.21949
ΔH_f, kcal/mol:	-9.38
Dipole, Da:	2.43
IP(EA), eV:	-9.15(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)COC2=CC(=CC(=C2)CNCC3CNC3)Cl

DOS

IR

Vibrations