Geometry & MOs

Info

ID:	49143
PubChem CID:	11528757
Reduced:	N2O2C13H16 (1)
Stoich.:	A2B2C13D16 (1)
Weight, g/mol:	232.100048
ΔH_f, kcal/mol:	-50.31
Dipole, Da:	3.27
IP(EA), eV:	-9.14(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-phenyl-1H-indole-5-carbonitrile

Drug info:

PubChemData

Smile

CC1([C@@H]2CC=C([C@H]1C2)/C=C\3/C(=O)NC(=O)N3)C

DOS

IR

Vibrations