Geometry & MOs

Info

ID:	187738
PubChem CID:	77617608
Reduced:	SF3N4O4C23H25 (1)
Stoich.:	AB3C4D4E23F25 (1)
Weight, g/mol:	469.228476
ΔH_f, kcal/mol:	-270.84
Dipole, Da:	6.22
IP(EA), eV:	-8.8(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(aminomethyl)naphthalen-1-yl]methyl]-3-[(4-benzylpyrrolidin-3-yl)methyl]-4-chloroaniline

Drug info:

PubChemData

Smile

CC1=NC2=C(S1)C=CC(=C2)OCC(CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)N)OC(F)(F)F)O

DOS

IR

Vibrations