Geometry & MOs

Info

ID:	152419
PubChem CID:	56311345
Reduced:	BrN3C19H20 (1)
Stoich.:	AB3C19D20 (1)
Weight, g/mol:	411.198048
ΔH_f, kcal/mol:	69.21
Dipole, Da:	6.34
IP(EA), eV:	-8.93(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-[cyclohexylmethyl(cyclopropyl)amino]acetyl]amino]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1CN3CCCC3C4=CC(=CC=C4)Br

DOS

IR

Vibrations