Geometry & MOs

Info

ID:	32042
PubChem CID:	4254123
Reduced:	O3N4C26H30 (1)
Stoich.:	A3B4C26D30 (1)
Weight, g/mol:	494.25292
ΔH_f, kcal/mol:	-95.43
Dipole, Da:	9.05
IP(EA), eV:	-9.15(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-methoxy-3-[2-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]propanoylamino]-1H-indole-2-carboxylate

Drug info:

PubChemData

Smile

CCC(=NC1CCN(CC1)CC2=CC=CC=C2)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)O

DOS

IR

Vibrations