Geometry & MOs

Info

ID:	362985
PubChem CID:	127310003
Reduced:	O2N3C21H25 (1)
Stoich.:	A2B3C21D25 (1)
Weight, g/mol:	348.183778
ΔH_f, kcal/mol:	-47.45
Dipole, Da:	1.83
IP(EA), eV:	-8.29(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2CC1CC(=O)NC3=NC=C(C=C3)N4CCOCC4

DOS

IR

Vibrations