Geometry & MOs

Info

ID:	131402
PubChem CID:	51201087
Reduced:	N3O4H17C21 (1)
Stoich.:	A3B4C17D21 (1)
Weight, g/mol:	333.11765
ΔH_f, kcal/mol:	-66.66
Dipole, Da:	1.19
IP(EA), eV:	-9.05(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(difluoromethoxy)phenyl]-N-(3,4-dihydro-2H-chromen-4-yl)acetamide

Drug info:

PubChemData

Smile

C1COC2=CC=CC=C2C1NC(=O)CN3C=NC4=C(C3=O)OC5=CC=CC=C54

DOS

IR

Vibrations