Geometry & MOs

Info

ID:	330762
PubChem CID:	127248169
Reduced:	FON3C21H26 (1)
Stoich.:	ABC3D21E26 (1)
Weight, g/mol:	373.19026
ΔH_f, kcal/mol:	-72.93
Dipole, Da:	4.08
IP(EA), eV:	-8.91(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[6-methyl-4-(4-methylanilino)pyridin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CCN(C2)C(=O)CC(C)C)NC3=CC(=CC=C3)F

DOS

IR

Vibrations