Geometry & MOs

Info

ID:	433678
PubChem CID:	135173818
Reduced:	SO2C13H24 (1)
Stoich.:	AB2C13D24 (1)
Weight, g/mol:	423.242296
ΔH_f, kcal/mol:	-121.0
Dipole, Da:	3.73
IP(EA), eV:	-9.13(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-amino-2-methylphenyl)-2-methylphenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine

Drug info:

PubChemData

Smile

CCC1([C@H](CCSC1=O)C)[C@@H](C(C)(C)C)O

DOS

IR

Vibrations