Geometry & MOs

Info

ID:	173329
PubChem CID:	75623549
Reduced:	NO5C21H21 (1)
Stoich.:	AB5C21D21 (1)
Weight, g/mol:	375.19582
ΔH_f, kcal/mol:	-151.49
Dipole, Da:	3.05
IP(EA), eV:	-9.11(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C=CC1=CC=C(C=C1)NC(=O)C2C(OC3=CC=CC=C3O2)C

DOS

IR

Vibrations