Geometry & MOs

Info

ID:	443293
PubChem CID:	135258423
Reduced:	N3C5H13 (1)
Stoich.:	A3B5C13 (1)
Weight, g/mol:	408.088863
ΔH_f, kcal/mol:	15.41
Dipole, Da:	2.68
IP(EA), eV:	-7.82(1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[5-chloro-1-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)pyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCN(/C=C(/C)\N)N

DOS

IR

Vibrations