Geometry & MOs

Info

ID:	365958
PubChem CID:	127319247
Reduced:	O2N3C12H21 (1)
Stoich.:	A2B3C12D21 (1)
Weight, g/mol:	254.199428
ΔH_f, kcal/mol:	-107.8
Dipole, Da:	1.21
IP(EA), eV:	-9.69(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopentylethyl)-2-methyl-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC(C1CCCC1)NC(=O)N2CCNC(=O)C2

DOS

IR

Vibrations