Geometry & MOs

Info

ID:	143735
PubChem CID:	53253229
Reduced:	N3H21C22 (1)
Stoich.:	A3B21C22 (1)
Weight, g/mol:	327.173548
ΔH_f, kcal/mol:	208.77
Dipole, Da:	4.05
IP(EA), eV:	-8.01(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,12R)-15-methyl-7-[2-(6-methylpyridin-3-yl)ethynyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraene

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C#CC2=C3C(=CC=C2)C4=C(N3)C[C@@H]5CC[C@H]4N5C

DOS

IR

Vibrations