Geometry & MOs

Info

ID:	323122
PubChem CID:	126672708
Reduced:	N5O5C11H15 (1)
Stoich.:	A5B5C11D15 (1)
Weight, g/mol:	401.402151
ΔH_f, kcal/mol:	-134.38
Dipole, Da:	2.13
IP(EA), eV:	-9.3(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[(6Z)-5-(4-ethyl-9-methyldec-5-enyl)cycloundec-6-en-1-yl]but-2-en-2-amine

Drug info:

PubChemData

Smile

CN1C(=O)N(NN1)/C=C/C(=O)OCCN2C(=O)CCC2=O

DOS

IR

Vibrations