Geometry & MOs

Info

ID:	243836
PubChem CID:	99259504
Reduced:	FN2O3C20H29 (1)
Stoich.:	AB2C3D20E29 (1)
Weight, g/mol:	377.155098
ΔH_f, kcal/mol:	-169.99
Dipole, Da:	4.66
IP(EA), eV:	-8.44(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)N1CCN(CC1)C2=CC=C(C=C2)F)OC[C@@H]3CCCO3

DOS

IR

Vibrations