Geometry & MOs

Info

ID:	154557
PubChem CID:	56314019
Reduced:	O2F4N4H24C25 (1)
Stoich.:	A2B4C4D24E25 (1)
Weight, g/mol:	373.196569
ΔH_f, kcal/mol:	-212.98
Dipole, Da:	2.68
IP(EA), eV:	-8.8(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(dimethylamino)-3-fluorophenyl]-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

C1COCCN1C(CNC(=O)C2=C(N=CC=C2)NC3=CC(=CC=C3)F)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations