Geometry & MOs

Info

ID:	349199
PubChem CID:	127274925
Reduced:	N3O4C20H25 (1)
Stoich.:	A3B4C20D25 (1)
Weight, g/mol:	259.132077
ΔH_f, kcal/mol:	-126.98
Dipole, Da:	3.95
IP(EA), eV:	-9.44(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-1,4-oxazepan-4-yl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)CNC(=O)C2C3=CC=CC=C3C(=O)N2C4CC4

DOS

IR

Vibrations