Geometry & MOs

Info

ID:	76948
PubChem CID:	48425613
Reduced:	N3O3C19H23 (1)
Stoich.:	A3B3C19D23 (1)
Weight, g/mol:	368.221226
ΔH_f, kcal/mol:	-77.82
Dipole, Da:	4.86
IP(EA), eV:	-9.18(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(diethylamino)-2-oxoethyl]-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)C1=CC(=CC=C1)OCC2=CN=CC=C2

DOS

IR

Vibrations