Geometry & MOs

Info

ID:	350352
PubChem CID:	127277430
Reduced:	ON3C14H27 (1)
Stoich.:	AB3C14D27 (1)
Weight, g/mol:	331.192963
ΔH_f, kcal/mol:	-56.32
Dipole, Da:	4.19
IP(EA), eV:	-8.66(1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone

Drug info:

PubChemData

Smile

CC(C)N1CCCN(CC1)C(=O)C2CCCN2C

DOS

IR

Vibrations