Geometry & MOs

Info

ID:	366520
PubChem CID:	127320036
Reduced:	O2N5C21H25 (1)
Stoich.:	A2B5C21D25 (1)
Weight, g/mol:	295.225977
ΔH_f, kcal/mol:	-19.04
Dipole, Da:	4.52
IP(EA), eV:	-9.13(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-acetyl-1,4-diazepan-1-yl)-2-(azepan-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CN1C(C(CC1=O)C(=O)N2CCN(CC2)CC3=CC=CC=N3)C4=CN=CC=C4

DOS

IR

Vibrations