Geometry & MOs

Info

ID:	143738
PubChem CID:	53253232
Reduced:	O2N3C23H23 (1)
Stoich.:	A2B3C23D23 (1)
Weight, g/mol:	383.163377
ΔH_f, kcal/mol:	-15.85
Dipole, Da:	2.12
IP(EA), eV:	-8.35(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-isoquinolin-7-yl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene-15-carboxylate

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)/C=C/C2=C3C(=CC=C2)C4=C(N3)CC5CCC4N5C(=O)OC

DOS

IR

Vibrations