Geometry & MOs

Info

ID:	378325
PubChem CID:	134224403
Reduced:	ClO2N7H22C24 (1)
Stoich.:	AB2C7D22E24 (1)
Weight, g/mol:	464.172752
ΔH_f, kcal/mol:	58.03
Dipole, Da:	6.48
IP(EA), eV:	-8.64(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[5-chloro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]pyrimidin-4-yl]amino]phenyl]-N,N-dimethyl-2-oxoacetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations