Geometry & MOs

Info

ID:	57678
PubChem CID:	22432138
Reduced:	N3O3C15H19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	497.217538
ΔH_f, kcal/mol:	-63.28
Dipole, Da:	2.73
IP(EA), eV:	-9.31(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-diethoxyphenyl)ethyl]-3-(tetrazolo[1,5-a]quinoxalin-4-ylamino)benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC2=NN=C(O2)C(=O)NCCCOC

DOS

IR

Vibrations