Geometry & MOs

Info

ID:	174783
PubChem CID:	75813679
Reduced:	N3O5C18H21 (1)
Stoich.:	A3B5C18D21 (1)
Weight, g/mol:	392.148455
ΔH_f, kcal/mol:	-126.93
Dipole, Da:	3.25
IP(EA), eV:	-9.14(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(methylamino)-3-nitrophenyl]-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C1COCC1CNC(=O)NNC(=O)C2=CC=C(O2)COC3=CC=CC=C3

DOS

IR

Vibrations