Geometry & MOs

Info

ID:	419834
PubChem CID:	135109287
Reduced:	N5O5C26H35 (1)
Stoich.:	A5B5C26D35 (1)
Weight, g/mol:	313.179027
ΔH_f, kcal/mol:	-186.41
Dipole, Da:	7.33
IP(EA), eV:	-8.98(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopent-3-en-1-yl-[4-(4-methylpyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

C[C@H]1C(=O)NCCCN(CCCC(=O)N[C@H](C(=O)N1C)CC2=CC=C(C=C2)OC)C(=O)C3=CC=CN3

DOS

IR

Vibrations