Geometry & MOs

Info

ID:	419558
PubChem CID:	135108415
Reduced:	ON4C16H22 (1)
Stoich.:	AB4C16D22 (1)
Weight, g/mol:	336.195011
ΔH_f, kcal/mol:	68.16
Dipole, Da:	2.83
IP(EA), eV:	-8.67(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[[1-[(3-methylphenyl)methyl]cyclopropyl]amino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1C#N)N2C[C@H]3CN([C@@H](C2)COC3)C)C

DOS

IR

Vibrations