Geometry & MOs

Info

ID:	329983
PubChem CID:	127246970
Reduced:	O3N6C16H22 (1)
Stoich.:	A3B6C16D22 (1)
Weight, g/mol:	340.169939
ΔH_f, kcal/mol:	-91.93
Dipole, Da:	4.98
IP(EA), eV:	-8.74(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-fluorophenyl)cyclopropyl]-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CC(=O)N2CCCC2C3=CN=CC(=N3)NC)C

DOS

IR

Vibrations