Geometry & MOs

Info

ID:	294090
PubChem CID:	117426979
Reduced:	NOC18H23 (1)
Stoich.:	ABC18D23 (1)
Weight, g/mol:	269.189198
ΔH_f, kcal/mol:	-17.71
Dipole, Da:	3.84
IP(EA), eV:	-9.54(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)butan-1-amine

Drug info:

PubChemData

Smile

CC1(CCCC(C1)C2=CC=C(C=C2)C3(CC3)N=C=O)C

DOS

IR

Vibrations