Geometry & MOs

Info

ID:	414147
PubChem CID:	135087102
Reduced:	NO3C22H27 (1)
Stoich.:	AB3C22D27 (1)
Weight, g/mol:	306.173213
ΔH_f, kcal/mol:	-85.63
Dipole, Da:	1.45
IP(EA), eV:	-8.73(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-butylindole-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCCC#CC1=C(N(C2=CC=CC=C21)C(=O)OC(C)(C)C)C=O

DOS

IR

Vibrations