Geometry & MOs

Info

ID:	297454
PubChem CID:	117618237
Reduced:	OF2N6H20C23 (1)
Stoich.:	AB2C6D20E23 (1)
Weight, g/mol:	404.157244
ΔH_f, kcal/mol:	-17.82
Dipole, Da:	8.27
IP(EA), eV:	-8.82(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-difluoro-N-[4-fluoro-3-[6-(propan-2-ylamino)imidazo[1,2-a]pyrimidin-2-yl]phenyl]azetidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)C2=CN3C=C(N=C3N=C2)C4=C(C=CC(=C4)NC(=O)N5CC[C@H](C5)F)F

DOS

IR

Vibrations