Geometry & MOs

Info

ID:	154455
PubChem CID:	56313896
Reduced:	FO3N5C22H22 (1)
Stoich.:	AB3C5D22E22 (1)
Weight, g/mol:	422.146427
ΔH_f, kcal/mol:	9.9
Dipole, Da:	5.04
IP(EA), eV:	-8.84(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(4H-thieno[3,2-c]chromen-2-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=NN(C=C2)C3=CC(=CC=C3)[N+](=O)[O-])CC4=CC=CC=C4F

DOS

IR

Vibrations