Geometry & MOs

Info

ID:	85873
PubChem CID:	49879822
Reduced:	O2N3C17H17 (1)
Stoich.:	A2B3C17D17 (1)
Weight, g/mol:	328.097855
ΔH_f, kcal/mol:	-6.94
Dipole, Da:	3.97
IP(EA), eV:	-8.2(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-5-methoxy-1-methylindole-2-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)OC)C=C1C(=O)NCC3=CN=CC=C3

DOS

IR

Vibrations