Geometry & MOs

Info

ID:	155282
PubChem CID:	56352868
Reduced:	OS2N4C21H24 (1)
Stoich.:	AB2C4D21E24 (1)
Weight, g/mol:	385.234097
ΔH_f, kcal/mol:	55.25
Dipole, Da:	3.08
IP(EA), eV:	-8.65(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[butyl(ethyl)amino]phenyl]-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C(=O)N(CC1CCC1)CC2=CC=CC=C2)N3C(=NNC3=S)C4=CC=CS4

DOS

IR

Vibrations