Geometry & MOs

Info

ID:	312893
PubChem CID:	126609556
Reduced:	N2O4H26C27 (1)
Stoich.:	A2B4C26D27 (1)
Weight, g/mol:	471.179421
ΔH_f, kcal/mol:	-72.62
Dipole, Da:	5.94
IP(EA), eV:	-8.19(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-[1-hydroxy-1-[2-[(2-methylphenyl)methyl]-1-(4-nitrophenyl)indol-3-yl]propan-2-ylidene]amino] acetate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)OC(=O)C)CC(=N)C2=CN(C3=C2C=C(C=C3)OCCO)C4=CC=CC=C4

DOS

IR

Vibrations