Geometry & MOs

Info

ID:	350353
PubChem CID:	127277431
Reduced:	SN3O3C15H29 (1)
Stoich.:	AB3C3D15E29 (1)
Weight, g/mol:	254.199428
ΔH_f, kcal/mol:	-141.13
Dipole, Da:	5.52
IP(EA), eV:	-8.91(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1CCCN(CC1)C(=O)CN(C)C2CCS(=O)(=O)C2

DOS

IR

Vibrations