Geometry & MOs

Info

ID:	154660
PubChem CID:	56314147
Reduced:	F3N3O4C23H32 (1)
Stoich.:	A3B3C4D23E32 (1)
Weight, g/mol:	422.211804
ΔH_f, kcal/mol:	-344.75
Dipole, Da:	6.56
IP(EA), eV:	-8.86(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]methanone

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC1C(=O)NCC(C2=CC=C(C=C2)C(F)(F)F)N3CCOCC3

DOS

IR

Vibrations