Geometry & MOs

Info

ID:	240784
PubChem CID:	93617539
Reduced:	O2N4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	338.174276
ΔH_f, kcal/mol:	-30.59
Dipole, Da:	3.3
IP(EA), eV:	-8.89(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-(1-pyrimidin-2-ylpiperidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)[C@H]2CC3=CC=CC=C3OC2)C4=NC=CC=N4

DOS

IR

Vibrations