Geometry & MOs

Info

ID:	348875
PubChem CID:	127274523
Reduced:	N2O4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	303.158292
ΔH_f, kcal/mol:	-159.27
Dipole, Da:	4.22
IP(EA), eV:	-8.66(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-1,4-oxazepan-4-yl)-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)COC2=CC3=C(C=C2)NC(=O)CC3

DOS

IR

Vibrations