Geometry & MOs

Info

ID:	378322
PubChem CID:	134224399
Reduced:	ClO2N8H21C23 (1)
Stoich.:	AB2C8D21E23 (1)
Weight, g/mol:	450.157102
ΔH_f, kcal/mol:	71.96
Dipole, Da:	7.36
IP(EA), eV:	-8.43(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[5-chloro-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidin-4-yl]amino]phenyl]-N,N-dimethyl-2-oxoacetamide

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C2=NC=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4C(=O)C(=O)N(C)C)Cl

DOS

IR

Vibrations