Geometry & MOs

Info

ID:	431908
PubChem CID:	135172029
Reduced:	O2N4C27H36 (1)
Stoich.:	A2B4C27D36 (1)
Weight, g/mol:	476.242356
ΔH_f, kcal/mol:	-48.03
Dipole, Da:	8.69
IP(EA), eV:	-8.37(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[3-acetyl-6-(benzylamino)-5-(cyclopropylcarbamoylamino)indol-1-yl]acetate

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)C(C)CC(=O)OC)NC3=NC=C(C=C3)C#N

DOS

IR

Vibrations