Geometry & MOs

Info

ID:	154667
PubChem CID:	56314155
Reduced:	FOSN4C22H23 (1)
Stoich.:	ABCD4E22F23 (1)
Weight, g/mol:	407.200905
ΔH_f, kcal/mol:	-0.45
Dipole, Da:	4.55
IP(EA), eV:	-8.91(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(7-methoxy-2-methylquinolin-3-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)CC2=CSC(=N2)C3=CN=CC=C3)CC4=CC=CC=C4F

DOS

IR

Vibrations