Geometry & MOs

Info

ID:	176836
PubChem CID:	76104520
Reduced:	N2C5H5 (2)
Stoich.:	A2B5C5 (2)
Weight, g/mol:	643.37337
ΔH_f, kcal/mol:	125.01
Dipole, Da:	2.85
IP(EA), eV:	-8.49(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[6-[[1-[2-[2-[(2-aminoacetyl)amino]phenyl]ethyl-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-methylamino]-2-methyl-6-oxohex-4-en-2-yl]carbamate

Drug info:

PubChemData

Smile

C1C(=C2C=C3C=CC=CC3=N2)NNN1

DOS

IR

Vibrations