Geometry & MOs

Info

ID:	349224
PubChem CID:	127274950
Reduced:	N4O4C15H18 (1)
Stoich.:	A4B4C15D18 (1)
Weight, g/mol:	268.178693
ΔH_f, kcal/mol:	-142.86
Dipole, Da:	2.1
IP(EA), eV:	-9.61(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-methyl-1,4-oxazepan-4-yl)-2-oxoethyl]azepan-2-one

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)C2=CC3=C(N=C2)N(C(=O)NC3=O)C

DOS

IR

Vibrations