Geometry & MOs

Info

ID:	371159
PubChem CID:	127342690
Reduced:	ON3C14H23 (1)
Stoich.:	AB3C14D23 (1)
Weight, g/mol:	276.195011
ΔH_f, kcal/mol:	-32.22
Dipole, Da:	2.71
IP(EA), eV:	-8.83(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyclopentyl-1,4-diazepan-1-yl)-(2-methyl-1H-imidazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC(C#N)C(=O)N1CCCN(CC1)C2CCCC2

DOS

IR

Vibrations