Geometry & MOs

Info

ID:	187363
PubChem CID:	77564087
Reduced:	N2H4O5C6 (1)
Stoich.:	A2B4C5D6 (1)
Weight, g/mol:	422.220557
ΔH_f, kcal/mol:	-75.63
Dipole, Da:	4.8
IP(EA), eV:	-11.21(-2.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[2-[2-(1,3-benzodioxol-5-yl)-5-methylpyrrol-1-yl]ethoxy]phenyl]-2-ethoxypropan-1-amine

Drug info:

PubChemData

Smile

C1=C(C(C(=O)N=C1)C(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations