Geometry & MOs

Info

ID:	124095
PubChem CID:	50872498
Reduced:	N3O7H17C23 (1)
Stoich.:	A3B7C17D23 (1)
Weight, g/mol:	297.126598
ΔH_f, kcal/mol:	-111.14
Dipole, Da:	6.65
IP(EA), eV:	-9.33(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylidene]propanedinitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C(=O)/C(=C/C3=CC=C(O3)C4=C(C=C(C=C4)[N+](=O)[O-])OC)/C(=O)NC2=O

DOS

IR

Vibrations