Geometry & MOs

Info

ID:	43775
PubChem CID:	10321776
Reduced:	INO2C21H30 (1)
Stoich.:	ABC2D21E30 (1)
Weight, g/mol:	455.136887
ΔH_f, kcal/mol:	-12.56
Dipole, Da:	20.95
IP(EA), eV:	-6.16(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-(2-formyl-3-hydroxy-4-phenylmethoxyphenyl)benzo[f][1,3]benzodioxol-5-yl]-N-methylformamide

Drug info:

PubChemData

Smile

C[N+](C)(C)CC1=CC=C(O1)C(C2CCCCC2)(C3=CC=CC=C3)O.[I-]

DOS

IR

Vibrations