Geometry & MOs

Info

ID:	313069
PubChem CID:	126611578
Reduced:	NO6C9H19 (1)
Stoich.:	AB6C9D19 (1)
Weight, g/mol:	311.079373
ΔH_f, kcal/mol:	-299.61
Dipole, Da:	2.46
IP(EA), eV:	-10.19(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-nitrobenzoyl)phenyl] 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CCC(=O)NC[C@H]([C@@H]([C@H]([C@H](CO)O)O)O)O

DOS

IR

Vibrations