Geometry & MOs

Info

ID:	152647
PubChem CID:	56311665
Reduced:	O2N3C24H31 (1)
Stoich.:	A2B3C24D31 (1)
Weight, g/mol:	439.172976
ΔH_f, kcal/mol:	-63.56
Dipole, Da:	4.97
IP(EA), eV:	-8.96(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-yl]benzoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(C)C(=O)NC(C)C3=CC=CC=C3

DOS

IR

Vibrations