Geometry & MOs

Info

ID:	379163
PubChem CID:	134355088
Reduced:	O3C20H38 (1)
Stoich.:	A3B20C38 (1)
Weight, g/mol:	474.217952
ΔH_f, kcal/mol:	-203.93
Dipole, Da:	2.03
IP(EA), eV:	-9.69(1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-[2-fluoro-5-[6-oxo-5-(pyrimidin-4-ylamino)-1H-pyridazin-3-yl]phenyl]-3-methylcyclohexa-1,5-diene-1-carboxamide

Drug info:

PubChemData

Smile

CC1(CC1(CC(C)(C)C)C(=O)OC(C)(C)CCOC(C)(C)C)C

DOS

IR

Vibrations