Geometry & MOs

Info

ID:	363352
PubChem CID:	127310886
Reduced:	FON4C21H27 (1)
Stoich.:	ABC4D21E27 (1)
Weight, g/mol:	329.221561
ΔH_f, kcal/mol:	-45.93
Dipole, Da:	4.65
IP(EA), eV:	-8.94(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyclopropylpyrimidin-4-yl)-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=C(C=C(C=C2)C(=O)NC3CCN(C3)C4CCCC4)F)C

DOS

IR

Vibrations