Geometry & MOs

Info

ID:	446180
PubChem CID:	135272989
Reduced:	N2H4C5 (4)
Stoich.:	A2B4C5 (4)
Weight, g/mol:	551.239336
ΔH_f, kcal/mol:	180.18
Dipole, Da:	7.47
IP(EA), eV:	-9.31(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-1-[6-[[4-[6-(3-cyanophenyl)-2-(oxolan-3-ylamino)pyrimidin-4-yl]triazol-1-yl]methyl]pyridin-2-yl]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)CN2C=C(N=N2)C3=NC(=NC(=C3)C4=CC=CC(=C4)C#N)N

DOS

IR

Vibrations