Geometry & MOs

Info

ID:	349206
PubChem CID:	127274932
Reduced:	N2O2C7H8 (2)
Stoich.:	A2B2C7D8 (2)
Weight, g/mol:	249.147727
ΔH_f, kcal/mol:	-144.21
Dipole, Da:	2.6
IP(EA), eV:	-9.68(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-1,4-oxazepan-4-yl)-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations