Geometry & MOs

Info

ID:	391527
PubChem CID:	135006273
Reduced:	SN2O3C13H18 (1)
Stoich.:	AB2C3D13E18 (1)
Weight, g/mol:	418.190595
ΔH_f, kcal/mol:	-113.65
Dipole, Da:	5.08
IP(EA), eV:	-9.52(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N,4-N-diphenyl-5-[(quinolin-6-ylamino)methyl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(C)C(=O)N2CCCC2

DOS

IR

Vibrations