Geometry & MOs

Info

ID:	79548
PubChem CID:	49829446
Reduced:	N2O5C25H30 (1)
Stoich.:	A2B5C25D30 (1)
Weight, g/mol:	430.143667
ΔH_f, kcal/mol:	-172.96
Dipole, Da:	5.37
IP(EA), eV:	-8.31(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl 2-[3-(3-nitrophenyl)prop-2-enoylamino]-6-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-3-carboxylate

Drug info:

PubChemData

Smile

CC1CCCC(N1C(=O)COC2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCCCO4)C

DOS

IR

Vibrations