Geometry & MOs

Info

ID:	241058
PubChem CID:	93621472
Reduced:	O2N5C16H21 (1)
Stoich.:	A2B5C16D21 (1)
Weight, g/mol:	338.174276
ΔH_f, kcal/mol:	-11.45
Dipole, Da:	3.81
IP(EA), eV:	-9.04(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CC(=O)N[C@H]2CCCN(C2)C3=NC=CC=N3

DOS

IR

Vibrations