Geometry & MOs

Info

ID:	173330
PubChem CID:	75624512
Reduced:	FN3O3C20H26 (1)
Stoich.:	AB3C3D20E26 (1)
Weight, g/mol:	393.216475
ΔH_f, kcal/mol:	-117.51
Dipole, Da:	7.08
IP(EA), eV:	-9.01(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-[4-[3-(1-phenylpyrazol-4-yl)prop-2-enoyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CC1)N2CCN(CC2)C(=O)C=CC3=CC(=C(C=C3)OC)F

DOS

IR

Vibrations