Geometry & MOs

Info

ID:	426198
PubChem CID:	135142489
Reduced:	N5C12H15 (1)
Stoich.:	A5B12C15 (1)
Weight, g/mol:	505.268905
ΔH_f, kcal/mol:	97.56
Dipole, Da:	7.23
IP(EA), eV:	-9.01(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1H-indole-2-carbonyl]amino]ethyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(N(N=N1)C2=CC=CC=C2N(C)C=N)C

DOS

IR

Vibrations