Geometry & MOs

Info

ID:	30804
PubChem CID:	841946
Reduced:	ClNO3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	-135.67
Dipole, Da:	2.34
IP(EA), eV:	-9.28(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-2-amino-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile

Drug info:

PubChemData

Smile

C1CC[C@@H]([C@H](C1)C(=O)NC2=CC(=CC=C2)Cl)C(=O)O

DOS

IR

Vibrations