Geometry & MOs

Info

ID:	335059
PubChem CID:	127253865
Reduced:	N3O3C16H18 (2)
Stoich.:	A3B3C16D18 (2)
Weight, g/mol:	609.211115
ΔH_f, kcal/mol:	-115.53
Dipole, Da:	8.78
IP(EA), eV:	-8.54(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCCC1=NN=C2N1C=CC=C2)NC3=CC=C4C(=CC3=O)[C@H](CCC5=CC(=C(C(=C54)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations