Geometry & MOs

Info

ID:	14804
PubChem CID:	420975
Reduced:	NO3H21C22 (1)
Stoich.:	AB3C21D22 (1)
Weight, g/mol:	347.152144
ΔH_f, kcal/mol:	-28.9
Dipole, Da:	0.18
IP(EA), eV:	-8.7(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-1-(4-phenylmethoxyphenyl)methanamine

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)CNCC3=CC=C(C=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations