Geometry & MOs

Info

ID:	348865
PubChem CID:	127274513
Reduced:	ON2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	213.136493
ΔH_f, kcal/mol:	-56.23
Dipole, Da:	5.59
IP(EA), eV:	-8.49(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-1,4-oxazepan-4-yl)-(oxolan-3-yl)methanone

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)C2CCN(CC2)C3=NC=CN=C3

DOS

IR

Vibrations