Geometry & MOs

Info

ID:	223953
PubChem CID:	85336267
Reduced:	BrN3O3H12C17 (1)
Stoich.:	AB3C3D12E17 (1)
Weight, g/mol:	386.13789
ΔH_f, kcal/mol:	-17.1
Dipole, Da:	1.91
IP(EA), eV:	-8.76(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(dihydroxyamino)phenyl]methylideneamino]-3-phenyl-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=O)C3=CN=C4C=CC(C=C4N3C2=O)Br

DOS

IR

Vibrations