Geometry & MOs

Info

ID:	143734
PubChem CID:	53253228
Reduced:	N3C22H23 (1)
Stoich.:	A3B22C23 (1)
Weight, g/mol:	327.173548
ΔH_f, kcal/mol:	73.56
Dipole, Da:	4.37
IP(EA), eV:	-8.06(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,12S)-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=C/C2=C3C(=CC=C2)C4=C(N3)C[C@H]5CC[C@@H]4N5C

DOS

IR

Vibrations