Geometry & MOs

Info

ID:	154236
PubChem CID:	56313642
Reduced:	FON2C23H29 (1)
Stoich.:	ABC2D23E29 (1)
Weight, g/mol:	452.211136
ΔH_f, kcal/mol:	-67.8
Dipole, Da:	3.73
IP(EA), eV:	-8.79(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]-7-methoxy-4-methylchromen-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CCC(=O)N2CCCN(CC2)CC3=CC=CC=C3F)C

DOS

IR

Vibrations