Geometry & MOs

Info

ID:	426868
PubChem CID:	135154271
Reduced:	FO2N5H22C24 (1)
Stoich.:	AB2C5D22E24 (1)
Weight, g/mol:	361.165108
ΔH_f, kcal/mol:	-13.34
Dipole, Da:	8.1
IP(EA), eV:	-9.31(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(4-methoxy-3-pyrazolo[4,3-c]pyridin-1-ylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

C1CN(CCC1OC2=CC=CC(=C2)C#N)C3=NC(=C(C=C3)C(=O)NCC4=CC=NC=C4)F

DOS

IR

Vibrations