Geometry & MOs

Info

ID:	365504
PubChem CID:	127317931
Reduced:	SN3O3C16H25 (1)
Stoich.:	AB3C3D16E25 (1)
Weight, g/mol:	269.210327
ΔH_f, kcal/mol:	-117.78
Dipole, Da:	4.26
IP(EA), eV:	-8.95(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,7-dimethyl-N-(oxan-3-ylmethyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=CSC(=N1)C2CCCN(C2)C(=O)NCC3COCCO3

DOS

IR

Vibrations