Geometry & MOs

Info

ID:	367076
PubChem CID:	127323063
Reduced:	O2N4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	259.168462
ΔH_f, kcal/mol:	-34.94
Dipole, Da:	2.76
IP(EA), eV:	-8.8(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4,7-dimethyl-1,4-diazepan-1-yl)-5-methyl-1,3-benzoxazole

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=N2)NCCN3CCN(CC3)C(=O)C4CCC4

DOS

IR

Vibrations