Geometry & MOs

Info

ID:	163024
PubChem CID:	57581405
Reduced:	NSO3H27C29 (1)
Stoich.:	ABC3D27E29 (1)
Weight, g/mol:	287.079373
ΔH_f, kcal/mol:	-39.23
Dipole, Da:	2.2
IP(EA), eV:	-8.71(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(methoxymethoxy)phenyl]-(2-nitrophenyl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)CCC(=O)NC2=CC(=C(S2)CC3=CC=CC=C3)C4=CC=CC=C4)OC

DOS

IR

Vibrations