Geometry & MOs

Info

ID:	349608
PubChem CID:	127275760
Reduced:	N3O3C20H29 (1)
Stoich.:	A3B3C20D29 (1)
Weight, g/mol:	226.168128
ΔH_f, kcal/mol:	-114.0
Dipole, Da:	3.1
IP(EA), eV:	-8.52(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCCC(C1)NC(=O)N2CCCC2C3=C4C(=CC=C3)OCCO4

DOS

IR

Vibrations