Geometry & MOs

Info

ID:	394388
PubChem CID:	135022899
Reduced:	NOC7H8 (2)
Stoich.:	ABC7D8 (2)
Weight, g/mol:	418.200491
ΔH_f, kcal/mol:	-26.76
Dipole, Da:	5.61
IP(EA), eV:	-8.54(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(5-methyl-1H-pyrazol-3-yl)-N-(4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C\N(C)C)/C1=CC=CC=C1C#N

DOS

IR

Vibrations