Geometry & MOs

Info

ID:	434008
PubChem CID:	135174159
Reduced:	ClON2C20H25 (1)
Stoich.:	ABC2D20E25 (1)
Weight, g/mol:	424.03756
ΔH_f, kcal/mol:	-14.42
Dipole, Da:	4.65
IP(EA), eV:	-8.96(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(2-bromo-4-chlorophenyl)methylsulfanyl]phenyl]methyl]-1-pyrrolidin-3-ylmethanamine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)COC2=CC=CC(=C2)CNCC3CCNC3

DOS

IR

Vibrations