Geometry & MOs

Info

ID:	348840
PubChem CID:	127274488
Reduced:	N2O5C19H24 (1)
Stoich.:	A2B5C19D24 (1)
Weight, g/mol:	250.077599
ΔH_f, kcal/mol:	-179.57
Dipole, Da:	3.24
IP(EA), eV:	-9.13(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methyl-1,4-oxazepane-4-carbonyl)thiophene-3-carbonitrile

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)C2CCCN2C(=O)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations