Geometry & MOs

Info

ID:	304439
PubChem CID:	124595261
Reduced:	N2O3C16H22 (1)
Stoich.:	A2B3C16D22 (1)
Weight, g/mol:	340.153541
ΔH_f, kcal/mol:	-108.42
Dipole, Da:	1.01
IP(EA), eV:	-9.08(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-(4-cyano-1-propan-2-ylpyrazol-3-yl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)COC2=CC=CC(=C2)C(=O)N3CC[C@H](C3)N

DOS

IR

Vibrations