Geometry & MOs

Info

ID:	345995
PubChem CID:	127270312
Reduced:	ON4C23H24 (1)
Stoich.:	AB4C23D24 (1)
Weight, g/mol:	338.163043
ΔH_f, kcal/mol:	43.01
Dipole, Da:	5.18
IP(EA), eV:	-9.03(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,4-dioxan-2-ylmethyl)-5,7-dihydrobenzo[d][2]benzazepine-6-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C=N1)C(CCC2)NC(=O)N3CC4=CC=CC=C4C5=CC=CC=C5C3

DOS

IR

Vibrations