Geometry & MOs

Info

ID:	148078
PubChem CID:	53787740
Reduced:	O2N3H17C19 (1)
Stoich.:	A2B3C17D19 (1)
Weight, g/mol:	350.08814
ΔH_f, kcal/mol:	45.57
Dipole, Da:	5.98
IP(EA), eV:	-9.21(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-(4-bromophenyl)ethyl]cyclohexyl] but-2-enoate

Drug info:

PubChemData

Smile

CC1(C=C(C2=C(C1=NOC)C=CC(=C2)C#N)N3C=CC=CC3=O)C

DOS

IR

Vibrations