Geometry & MOs

Info

ID:	329703
PubChem CID:	127246570
Reduced:	ON5C17H17 (1)
Stoich.:	AB5C17D17 (1)
Weight, g/mol:	307.168462
ΔH_f, kcal/mol:	51.33
Dipole, Da:	5.39
IP(EA), eV:	-8.99(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)C(=O)C3=NNC4=CC=CC=C43

DOS

IR

Vibrations