Geometry & MOs

Info

ID:	349535
PubChem CID:	127275422
Reduced:	N3O3C12H19 (1)
Stoich.:	A3B3C12D19 (1)
Weight, g/mol:	252.158626
ΔH_f, kcal/mol:	-109.38
Dipole, Da:	1.62
IP(EA), eV:	-8.7(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethylpyrazol-3-yl)-2-methyl-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)NC2=NC(=C(O2)C)C

DOS

IR

Vibrations