Geometry & MOs

Info

ID:	143632
PubChem CID:	53238347
Reduced:	O2N3C18H19 (1)
Stoich.:	A2B3C18D19 (1)
Weight, g/mol:	495.287035
ΔH_f, kcal/mol:	12.14
Dipole, Da:	2.21
IP(EA), eV:	-9.16(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-cyclopropyl-5-[[5-fluoro-4-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-methyltetrazol-5-one

Drug info:

PubChemData

Smile

CCOC(=O)C(CCC1=CC(=CC=C1)N=[N+]=[N-])C2=CC=CC=C2

DOS

IR

Vibrations