Geometry & MOs

Info

ID:	349349
PubChem CID:	127275136
Reduced:	O3N4C19H22 (1)
Stoich.:	A3B4C19D22 (1)
Weight, g/mol:	320.173607
ΔH_f, kcal/mol:	0.16
Dipole, Da:	5.41
IP(EA), eV:	-9.18(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-methyl-1,4-oxazepan-4-yl)acetamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)CC2=NN=C(O2)C3=C(ON=C3C4=CC=CC=C4)C

DOS

IR

Vibrations