Geometry & MOs

Info

ID:	308117
PubChem CID:	125317022
Reduced:	O3N4C24H24 (1)
Stoich.:	A3B4C24D24 (1)
Weight, g/mol:	376.226312
ΔH_f, kcal/mol:	6.3
Dipole, Da:	2.92
IP(EA), eV:	-8.95(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S,9R,10S)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-en-3-yl]-(1H-indazol-3-yl)methanone

Drug info:

PubChemData

Smile

C[C@H]1[C@H]2C(=NN(C2=O)C3=CC=CC=C3)CC(=O)N1CCC4=CN=C5C4=C[C@@H](C=C5)OC

DOS

IR

Vibrations