Geometry & MOs

Info

ID:	233290
PubChem CID:	89649820
Reduced:	O2F3N4H21C22 (1)
Stoich.:	A2B3C4D21E22 (1)
Weight, g/mol:	415.170748
ΔH_f, kcal/mol:	-181.74
Dipole, Da:	5.03
IP(EA), eV:	-9.21(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,4R)-2-(difluoromethyl)-2-methyl-3,4-dihydrochromen-4-yl]-3-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)urea

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2=N[C@@]3(CC2)CCN(C3=O)C)C4=C(C=CC(=C4)C(F)(F)F)C(=O)N

DOS

IR

Vibrations