Geometry & MOs

Info

ID:	156933
PubChem CID:	56394903
Reduced:	FNO2C12H14 (2)
Stoich.:	ABC2D12E14 (2)
Weight, g/mol:	387.139448
ΔH_f, kcal/mol:	-243.39
Dipole, Da:	9.21
IP(EA), eV:	-9.12(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(difluoromethoxy)-2-methylphenyl]-4-(4-oxo-1H-quinazolin-2-yl)butanamide

Drug info:

PubChemData

Smile

CC1CCCC(N1C(=O)COC2=CC=C(C=C2)C(=O)NC3=C(C(=CC=C3)OC(F)F)C)C

DOS

IR

Vibrations