Geometry & MOs

Info

ID:	299413
PubChem CID:	117682863
Reduced:	SN6C19H20 (1)
Stoich.:	AB6C19D20 (1)
Weight, g/mol:	280.101191
ΔH_f, kcal/mol:	109.92
Dipole, Da:	6.53
IP(EA), eV:	-8.06(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-(3-fluorophenyl)-7-methyl-4H-chromene-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC2=NC(=C(N2C=C1)C3=CSC(=N3)NC4=CN=C(C=C4)N(C)C)C

DOS

IR

Vibrations