Geometry & MOs

Info

ID:	84859
PubChem CID:	49870357
Reduced:	O4N5C18H19 (1)
Stoich.:	A4B5C18D19 (1)
Weight, g/mol:	368.159689
ΔH_f, kcal/mol:	9.03
Dipole, Da:	7.54
IP(EA), eV:	-9.07(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-methyl-1-[5-[(E)-3-nitroso-3-oxoprop-1-enyl]-1,2-dihydrotriazol-3-yl]propyl]-1H-indole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C1=CC2=C(C=CC=C2N1)C(=O)O)N3C=C(NN3)/C=C/C(=O)N=O

DOS

IR

Vibrations