Geometry & MOs

Info

ID:	331215
PubChem CID:	127248622
Reduced:	O2N5C23H25 (1)
Stoich.:	A2B5C23D25 (1)
Weight, g/mol:	389.185175
ΔH_f, kcal/mol:	1.17
Dipole, Da:	4.34
IP(EA), eV:	-8.66(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCC(=O)N2CCC(C2)C3=NC=NC=C3C4=CC(=NC=C4)N

DOS

IR

Vibrations