Geometry & MOs

Info

ID:	290637
PubChem CID:	109791142
Reduced:	F2O2N3C19H29 (1)
Stoich.:	A2B2C3D19E29 (1)
Weight, g/mol:	411.263425
ΔH_f, kcal/mol:	-152.45
Dipole, Da:	3.62
IP(EA), eV:	-9.06(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-methyl-N-[[4-[[[N'-methyl-N-[(6-methylpyridin-2-yl)methyl]carbamimidoyl]amino]methyl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

CN=C(NCC1=CC(=CC=C1)OCC(F)F)NCC2(CCC2)CCOC

DOS

IR

Vibrations