Geometry & MOs

Info

ID:	348826
PubChem CID:	127274474
Reduced:	N3O4C17H21 (1)
Stoich.:	A3B4C17D21 (1)
Weight, g/mol:	224.116092
ΔH_f, kcal/mol:	-131.84
Dipole, Da:	4.64
IP(EA), eV:	-9.3(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-1,4-oxazepan-4-yl)-(5-methyl-1,3-oxazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)C2=CC=C(C=C2)N3C(=O)CCC(=O)N3

DOS

IR

Vibrations