Geometry & MOs

Info

ID:	399318
PubChem CID:	135039623
Reduced:	N2C5H5 (2)
Stoich.:	A2B5C5 (2)
Weight, g/mol:	238.229666
ΔH_f, kcal/mol:	86.79
Dipole, Da:	3.02
IP(EA), eV:	-8.83(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-1-butylcyclododec-2-en-1-ol

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC2=NC=CN=N2

DOS

IR

Vibrations