Geometry & MOs

Info

ID:	332937
PubChem CID:	127251361
Reduced:	FO3N4C25H25 (1)
Stoich.:	AB3C4D25E25 (1)
Weight, g/mol:	423.22704
ΔH_f, kcal/mol:	-96.03
Dipole, Da:	3.06
IP(EA), eV:	-9.42(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-5-[2-methyl-6-[4-(2-pyrrolidin-1-ylacetyl)morpholin-2-yl]pyridin-4-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)CC3=CC=C(C=C3)F)C4=CN=C(C=C4)C(=O)NC

DOS

IR

Vibrations