Geometry & MOs

Info

ID:	412199
PubChem CID:	135085074
Reduced:	N7O7C36H44 (1)
Stoich.:	A7B7C36D44 (1)
Weight, g/mol:	319.90288
ΔH_f, kcal/mol:	-186.24
Dipole, Da:	5.1
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.802996
Charge, e:	-1

Chem-info

IUPAC name:

azanidacycloheptan-2-ol;rhodium

Drug info:

PubChemData

Smile

CC(=O)N1[C@H](C(=[N+]2CCC[C@@H]2C(=O)NC(C(=O)N[C@H](C(=N[C@H](CC3=CC=CC=C3)C(=O)OC)O1)C4=CC=CC=C4)(C)C)O)CC5=CN=CN5C

DOS

IR

Vibrations