Geometry & MOs

Info

ID:	240783
PubChem CID:	93617533
Reduced:	O3N4C15H22 (1)
Stoich.:	A3B4C15D22 (1)
Weight, g/mol:	338.174276
ΔH_f, kcal/mol:	-124.24
Dipole, Da:	3.37
IP(EA), eV:	-9.08(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCC1=C(N=CC=C1)OC2CCCC2)NC(=O)N

DOS

IR

Vibrations