Geometry & MOs

Info

ID:	315121
PubChem CID:	126624518
Reduced:	O8N14C45H62 (1)
Stoich.:	A8B14C45D62 (1)
Weight, g/mol:	255.104799
ΔH_f, kcal/mol:	-306.23
Dipole, Da:	11.95
IP(EA), eV:	-8.71(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-naphthalen-2-ylisoquinoline

Drug info:

Smile

CCCC[C@@H](C(=O)NCC(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@H](CC3=CNC4=CC=CC=C43)C(=O)N)NC(=O)C

DOS

IR

Vibrations