Geometry & MOs

Info

ID:	289912
PubChem CID:	104386488
Reduced:	OCl2N3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	309.135638
ΔH_f, kcal/mol:	-37.19
Dipole, Da:	5.78
IP(EA), eV:	-9.12(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-c]pyrazol-6-yl]-1-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CN1C2=C(C=CC(=C2)Cl)N=C1C(C)Cl

DOS

IR

Vibrations