Geometry & MOs

Info

ID:	333542
PubChem CID:	127252094
Reduced:	ON5H19C20 (1)
Stoich.:	AB5C19D20 (1)
Weight, g/mol:	359.17461
ΔH_f, kcal/mol:	57.73
Dipole, Da:	4.5
IP(EA), eV:	-8.91(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[2-[(5-methylpyridin-2-yl)amino]pyrimidin-4-yl]pyrrolidin-1-yl]-phenylmethanone

Drug info:

PubChemData

Smile

C1CN(CC1C2=NC(=NC=C2)NC3=CC=CC=N3)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations