Geometry & MOs

Info

ID:	369502
PubChem CID:	127334244
Reduced:	ON5C18H23 (1)
Stoich.:	AB5C18D23 (1)
Weight, g/mol:	253.09819
ΔH_f, kcal/mol:	31.26
Dipole, Da:	6.06
IP(EA), eV:	-8.67(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloropyridin-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)NC2=CC=CC(=C2)C(=O)N3CCCN(CC3)C

DOS

IR

Vibrations