Geometry & MOs

Info

ID:	350290
PubChem CID:	127277368
Reduced:	O2N3C21H29 (1)
Stoich.:	A2B3C21D29 (1)
Weight, g/mol:	289.153875
ΔH_f, kcal/mol:	-76.74
Dipole, Da:	5.25
IP(EA), eV:	-8.87(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)-1,4-diazepan-5-one

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)NCC2=CC=C(C=C2)C(=O)N3CCN4CCCC4C3

DOS

IR

Vibrations