Geometry & MOs

Info

ID:	315149
PubChem CID:	126624610
Reduced:	O3N7C30H45 (1)
Stoich.:	A3B7C30D45 (1)
Weight, g/mol:	233.152812
ΔH_f, kcal/mol:	-81.0
Dipole, Da:	12.62
IP(EA), eV:	-8.88(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-ethyl-1,4-diazepan-1-yl)-pyridin-4-ylmethanone

Drug info:

PubChemData

Smile

CCCCNC(CC)CN(CC(CC)NCCCC)C(=O)C1=CC=CC=C1N/N=C\2/C(=C(C(=O)NC2=O)C#N)C

DOS

IR

Vibrations