Geometry & MOs

Info

ID:	358433
PubChem CID:	127296001
Reduced:	SN3O4C17H29 (1)
Stoich.:	AB3C4D17E29 (1)
Weight, g/mol:	267.194677
ΔH_f, kcal/mol:	-199.16
Dipole, Da:	5.34
IP(EA), eV:	-9.62(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopentylacetyl)-N-methyl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCCN(CC2)C(=O)NC3CCS(=O)(=O)C3

DOS

IR

Vibrations