Geometry & MOs

Info

ID:	427073
PubChem CID:	135155329
Reduced:	N2O4C27H32 (1)
Stoich.:	A2B4C27D32 (1)
Weight, g/mol:	415.174336
ΔH_f, kcal/mol:	-110.99
Dipole, Da:	4.87
IP(EA), eV:	-8.82(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[5-methoxy-2-nitro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C3=C(CCC3)C(=N2)C4=CC=CC=C4)OCCCN5CCCC5.C(=O)O

DOS

IR

Vibrations