Geometry & MOs

Info

ID:	434007
PubChem CID:	135174157
Reduced:	NC12H16 (2)
Stoich.:	AB12C16 (2)
Weight, g/mol:	344.165541
ΔH_f, kcal/mol:	30.7
Dipole, Da:	2.22
IP(EA), eV:	-8.75(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-[(4-chloro-2-methylphenyl)methoxy]phenyl]methyl]-1-pyrrolidin-3-ylmethanamine

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)/C=C/C2=CC=CC(=C2)CNC3CCNCC3

DOS

IR

Vibrations