Geometry & MOs

Info

ID:	30567
PubChem CID:	841516
Reduced:	SO2N4C15H16 (1)
Stoich.:	AB2C4D15E16 (1)
Weight, g/mol:	235.168462
ΔH_f, kcal/mol:	-30.35
Dipole, Da:	3.55
IP(EA), eV:	-9.11(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cycloheptyl-2-ethylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=NC=CN=C3

DOS

IR

Vibrations