Geometry & MOs

Info

ID:	265519
PubChem CID:	103527071
Reduced:	OF3N3C10H12 (1)
Stoich.:	AB3C3D10E12 (1)
Weight, g/mol:	309.241627
ΔH_f, kcal/mol:	-152.16
Dipole, Da:	2.82
IP(EA), eV:	-9.48(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-methyl-N-[3-[(1-propylpyrrol-3-yl)methylamino]propyl]carbamate

Drug info:

PubChemData

Smile

CN1C=C(C=C1C#N)CNCC(C(F)(F)F)O

DOS

IR

Vibrations