Geometry & MOs

Info

ID:	41831
PubChem CID:	8147207
Reduced:	O3N4C24H26 (1)
Stoich.:	A3B4C24D26 (1)
Weight, g/mol:	410.081324
ΔH_f, kcal/mol:	-23.99
Dipole, Da:	10.09
IP(EA), eV:	-8.67(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 5-[4-(difluoromethoxy)-3-methoxybenzoyl]oxybenzene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)CN2CCN(CC2)CC3=NC(=O)C4=C(N3)C5=CC=CC=C5O4

DOS

IR

Vibrations