Geometry & MOs

Info

ID:	435131
PubChem CID:	135181434
Reduced:	OSN5C19H21 (1)
Stoich.:	ABC5D19E21 (1)
Weight, g/mol:	490.128694
ΔH_f, kcal/mol:	41.32
Dipole, Da:	8.82
IP(EA), eV:	-8.75(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-4-methyl-4,4a-dihydropyrido[3,4-d]pyrimidin-2-yl]-1-(2-methoxyethyl)pyrazol-4-amine

Drug info:

PubChemData

Smile

CC1CN2C(=O)C(=C(N=C2SC1)C3=CN=C(C=C3)N4CC(C4)(C)C)C#N

DOS

IR

Vibrations