Geometry & MOs

Info

ID:	423090
PubChem CID:	135118932
Reduced:	O3N4C18H20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	358.236876
ΔH_f, kcal/mol:	-61.87
Dipole, Da:	7.94
IP(EA), eV:	-9.59(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(azepan-1-yl)acetyl]-1,4-diazepan-1-yl]-2-pyridin-3-ylethanone

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=CN=CC(=N2)NC(CC(=O)O)C3=CC=CC=C3

DOS

IR

Vibrations