Geometry & MOs

Info

ID:	391758
PubChem CID:	135009307
Reduced:	O3C20H28 (1)
Stoich.:	A3B20C28 (1)
Weight, g/mol:	132.045426
ΔH_f, kcal/mol:	-115.51
Dipole, Da:	4.76
IP(EA), eV:	-8.58(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl(chloro)cyanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1OC)[C@@]23CO[C@@H]2CCC34CCCCC4)OC

DOS

IR

Vibrations