Geometry & MOs

Info

ID:	162783
PubChem CID:	57570848
Reduced:	ClO2N3C38H42 (1)
Stoich.:	AB2C3D38E42 (1)
Weight, g/mol:	457.202637
ΔH_f, kcal/mol:	-3.51
Dipole, Da:	4.14
IP(EA), eV:	-8.88(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-amino-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-yl]amino]-N-(3-methylphenyl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1OC2=C(C=C(C=C2)C(=O)NCC3CCN(C3)CC4=CC=CC=C4)Cl)CC(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations