Geometry & MOs

Info

ID:	310146
PubChem CID:	126575419
Reduced:	N7O10C61H63 (1)
Stoich.:	A7B10C61D63 (1)
Weight, g/mol:	212.08373
ΔH_f, kcal/mol:	-233.64
Dipole, Da:	5.99
IP(EA), eV:	-8.24(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1,2-dihydroacenaphthylene-4-carboxylate

Drug info:

Smile

C[C@@H](C(=O)NC1=CC=C(C=C1)C2=CN3[C@@H](C2)CNC4=CC(=C(C=C4C3=O)OC)OCCCOC5=C(C=C6C(=C5)N=C[C@@H]7CC(=CN7C6=O)C8CC8)OC)NC(=O)[C@H](C(C)C)NC(=O)OCC9C1=CC=CC=C1C1=CC=CC=C91

DOS

IR

Vibrations