Geometry & MOs

Info

ID:	358420
PubChem CID:	127295965
Reduced:	N3O3C13H21 (1)
Stoich.:	A3B3C13D21 (1)
Weight, g/mol:	348.216141
ΔH_f, kcal/mol:	-92.23
Dipole, Da:	6.24
IP(EA), eV:	-9.05(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopentylacetyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)NC(=O)N(C)CC2CCCOC2

DOS

IR

Vibrations