Geometry & MOs

Info

ID:	349585
PubChem CID:	127275737
Reduced:	N3O3C12H23 (1)
Stoich.:	A3B3C12D23 (1)
Weight, g/mol:	292.189926
ΔH_f, kcal/mol:	-149.88
Dipole, Da:	3.25
IP(EA), eV:	-9.31(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)NC(C)C(=O)N(C)C

DOS

IR

Vibrations