Geometry & MOs

Info

ID:	370817
PubChem CID:	127340646
Reduced:	ON5C22H29 (1)
Stoich.:	AB5C22D29 (1)
Weight, g/mol:	236.188863
ΔH_f, kcal/mol:	20.22
Dipole, Da:	5.7
IP(EA), eV:	-8.57(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyclopentyl-1,4-diazepan-1-yl)-cyclopropylmethanone

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)NC2=CC=CC(=C2)C(=O)N3CCCN(CC3)C4CCCC4

DOS

IR

Vibrations