Geometry & MOs

Info

ID:	439267
PubChem CID:	135229034
Reduced:	SO4N7H21C28 (1)
Stoich.:	AB4C7D21E28 (1)
Weight, g/mol:	265.132746
ΔH_f, kcal/mol:	19.26
Dipole, Da:	10.0
IP(EA), eV:	-8.88(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-quinolin-2-ylethyl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)N2C(=CC(=O)N2)NC(=O)NC3=CC=C(C4=CC=CC=C43)OC5=C6C(=NC=C5)NC(=O)C=N6

DOS

IR

Vibrations