Geometry & MOs

Info

ID:	156999
PubChem CID:	56404827
Reduced:	ClO2N6C23H33 (1)
Stoich.:	AB2C6D23E33 (1)
Weight, g/mol:	317.173942
ΔH_f, kcal/mol:	-19.88
Dipole, Da:	6.0
IP(EA), eV:	-8.81(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitro-N-(2,4,4-trimethylpentan-2-yl)-1H-indole-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C(=O)N1CCC(CC1)CN2CC(OC(C2)C)C)N3N=C(N=N3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations