Geometry & MOs

Info

ID:	349527
PubChem CID:	127275414
Reduced:	O2N3C12H17 (1)
Stoich.:	A2B3C12D17 (1)
Weight, g/mol:	240.183778
ΔH_f, kcal/mol:	-64.78
Dipole, Da:	1.98
IP(EA), eV:	-9.13(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)NC2=CC=CC=N2

DOS

IR

Vibrations