Geometry & MOs

Info

ID:	61747
PubChem CID:	26712455
Reduced:	N3O5H21C23 (1)
Stoich.:	A3B5C21D23 (1)
Weight, g/mol:	341.162708
ΔH_f, kcal/mol:	-55.47
Dipole, Da:	3.91
IP(EA), eV:	-8.4(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butoxy-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzamide

Drug info:

PubChemData

Smile

C1COC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)NCC4=CC=CC=C4)[N+](=O)[O-])OC1

DOS

IR

Vibrations