Geometry & MOs

Info

ID:	310581
PubChem CID:	126582868
Reduced:	O2N3C18H27 (1)
Stoich.:	A2B3C18D27 (1)
Weight, g/mol:	417.186398
ΔH_f, kcal/mol:	-67.65
Dipole, Da:	1.64
IP(EA), eV:	-7.91(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(1,5-dimethyl-6-oxopyridin-3-yl)-2-(1-methoxypropan-2-ylideneamino)phenyl]-3,3-difluorocyclobutane-1-carboxamide

Drug info:

PubChemData

Smile

CCOC[C@@H](C)NC1=C(C=CC(=C1)C2=CN(C(C(=C2)C)O)C)N

DOS

IR

Vibrations