Geometry & MOs

Info

ID:	154670
PubChem CID:	56314158
Reduced:	FN2O2C23H29 (1)
Stoich.:	AB2C2D23E29 (1)
Weight, g/mol:	430.201634
ΔH_f, kcal/mol:	-78.75
Dipole, Da:	4.91
IP(EA), eV:	-8.91(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC1C2=CC=C(O2)CCC(=O)N3CCCN(CC3)CC4=CC=CC=C4F

DOS

IR

Vibrations