Geometry & MOs

Info

ID:	331300
PubChem CID:	127248707
Reduced:	FO2N4H25C26 (1)
Stoich.:	AB2C4D25E26 (1)
Weight, g/mol:	418.211724
ΔH_f, kcal/mol:	-23.14
Dipole, Da:	5.7
IP(EA), eV:	-8.88(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-aminopyridin-3-yl)-[3-[2-(dimethylamino)-5-(4-methoxyphenyl)pyrimidin-4-yl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=C2)C(=O)N3CCC(C3)C4=NC(=NC=C4C5=CC(=CC=C5)F)N(C)C

DOS

IR

Vibrations