Geometry & MOs

Info

ID:	329712
PubChem CID:	127246579
Reduced:	O2N3C18H21 (1)
Stoich.:	A2B3C18D21 (1)
Weight, g/mol:	312.158626
ΔH_f, kcal/mol:	-34.09
Dipole, Da:	6.11
IP(EA), eV:	-8.78(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethoxypyridin-3-yl)-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)C(=O)CCOC3=CC=CC=C3

DOS

IR

Vibrations