Geometry & MOs

Info

ID:	423557
PubChem CID:	135119734
Reduced:	N3O4C22H29 (1)
Stoich.:	A3B4C22D29 (1)
Weight, g/mol:	354.169191
ΔH_f, kcal/mol:	-126.7
Dipole, Da:	6.33
IP(EA), eV:	-8.76(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2,1,3-benzoxadiazol-5-ylmethyl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCN(CC2)CC3=CN=C(N=C3)C4=CC=CC=C4OC)O

DOS

IR

Vibrations