Geometry & MOs

Info

ID:	244347
PubChem CID:	99344196
Reduced:	N3O3C21H25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	365.153955
ΔH_f, kcal/mol:	-87.97
Dipole, Da:	4.34
IP(EA), eV:	-8.51(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4S)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)[C@H](CCO2)NC(=O)C3=CN=C(C=C3)N4CCOCC4)C

DOS

IR

Vibrations