Geometry & MOs

Info

ID:	350001
PubChem CID:	127276874
Reduced:	N3O3C16H29 (1)
Stoich.:	A3B3C16D29 (1)
Weight, g/mol:	238.204513
ΔH_f, kcal/mol:	-149.62
Dipole, Da:	3.5
IP(EA), eV:	-8.88(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopentyl-(4-propan-2-yl-1,4-diazepan-1-yl)methanone

Drug info:

PubChemData

Smile

CC(C)N1CCCN(CC1)C(=O)CCC(=O)N2CCOCC2

DOS

IR

Vibrations