Geometry & MOs

Info

ID:	187346
PubChem CID:	77561991
Reduced:	NO2C14H17 (2)
Stoich.:	AB2C14D17 (2)
Weight, g/mol:	451.244421
ΔH_f, kcal/mol:	-144.87
Dipole, Da:	2.82
IP(EA), eV:	-9.21(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-hydroxypropan-2-yl)-5-[[2-(2-pyridin-2-ylpyrrolidin-1-yl)pyrrolo[1,2-a][1,3,5]triazin-4-yl]amino]pyrazolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC(=O)CC2=CC(=CC=C2)CC(C)(C)NCC(C3=CC(=CC(=C3)O)O)O

DOS

IR

Vibrations